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7136-41-6 molecular structure
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5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde

ChemBase ID: 306719
Molecular Formular: C11H15NOS
Molecular Mass: 209.3079
Monoisotopic Mass: 209.08743511
SMILES and InChIs

SMILES:
s1c(ccc1C=O)CN1CCCCC1
Canonical SMILES:
O=Cc1ccc(s1)CN1CCCCC1
InChI:
InChI=1S/C11H15NOS/c13-9-11-5-4-10(14-11)8-12-6-2-1-3-7-12/h4-5,9H,1-3,6-8H2
InChIKey:
RWKSLQNLAHNVDQ-UHFFFAOYSA-N

Cite this record

CBID:306719 http://www.chembase.cn/molecule-306719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
IUPAC Traditional name
5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
Synonyms
5-(piperidin-1-ylmethyl)thiophene-2-carbaldehyde
CAS Number
7136-41-6
MDL Number
MFCD06803314

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.33497015  LogD (pH = 7.4) 2.0422244 
Log P 2.522832  Molar Refractivity 60.0007 cm3
Polarizability 22.734114 Å3 Polar Surface Area 20.31 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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