1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine

C13H21ClN2S — CID 54954672

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H21ClN2S/c1-3-15-11-6-8-16(9-7-11)10(2)12-4-5-13(14)17-12/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyBIQSHOSQQWJPGM-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.54
Rot. Bonds4

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine

1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine (PubChem CID 54954672) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
PubChem CID54954672
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H21ClN2S/c1-3-15-11-6-8-16(9-7-11)10(2)12-4-5-13(14)17-12/h4-5,10-11,15H,3,6-9H2,1-2H3
InChIKeyBIQSHOSQQWJPGM-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 54953677
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
CID 54973377
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396947
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
N-(cyclopropylmethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]piperidin-4-amine
CID 115306877
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111502343
1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862940

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine (CID 54954672) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine is CCNC1CCN(C(C)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine?
The InChIKey is BIQSHOSQQWJPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-3-15-11-6-8-16(9-7-11)10(2)12-4-5-13(14)17-12/h4-5,10-11,15H,3,6-9H2,1-2H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine?
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine has a molecular weight of 272.84 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine is sourced from PubChem (CID 54954672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).