1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine

C13H21ClN2S — CID 114082900

IUPAC1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C(C)c2csc(Cl)c2)C1
InChIInChI=1S/C13H21ClN2S/c1-9(15)11-4-3-5-16(7-11)10(2)12-6-13(14)17-8-12/h6,8-11H,3-5,7,15H2,1-2H3
InChIKeySELUGGOJECHBKS-UHFFFAOYSA-N
MW272.85 g/mol
LogP3.52
Rot. Bonds3

About 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine

1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine (PubChem CID 114082900) has the molecular formula C13H21ClN2S and a molecular weight of 272.85 g/mol. Its IUPAC name is 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine
PubChem CID114082900
Molecular FormulaC13H21ClN2S
Molecular Weight272.85 g/mol
Exact Mass272.11
IUPAC Name1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(C(C)c2csc(Cl)c2)C1
InChIInChI=1S/C13H21ClN2S/c1-9(15)11-4-3-5-16(7-11)10(2)12-6-13(14)17-8-12/h6,8-11H,3-5,7,15H2,1-2H3
InChIKeySELUGGOJECHBKS-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793
1-[1-[1-(3,5-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975691
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925499
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-4-(2,5-dichlorothiophen-3-yl)butan-1-one
CID 124592375
1-[1-[1-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630141
3-[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81048429
[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 119596426
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976567

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine (CID 114082900) is 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(C(C)c2csc(Cl)c2)C1.
What is the InChIKey of 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine?
The InChIKey is SELUGGOJECHBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-9(15)11-4-3-5-16(7-11)10(2)12-6-13(14)17-8-12/h6,8-11H,3-5,7,15H2,1-2H3.
What are the key properties of 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine?
1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine has a molecular weight of 272.85 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 114082900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).