1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine

C11H17ClN2S — CID 61297752

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
SMILESCC(c1ccc(Cl)s1)N1CCCC(N)C1
InChIInChI=1S/C11H17ClN2S/c1-8(10-4-5-11(12)15-10)14-6-2-3-9(13)7-14/h4-5,8-9H,2-3,6-7,13H2,1H3
InChIKeyFYGGQWQGHBCRPY-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.89
Rot. Bonds2

About 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine

1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine (PubChem CID 61297752) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
PubChem CID61297752
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
SMILESCC(c1ccc(Cl)s1)N1CCCC(N)C1
InChIInChI=1S/C11H17ClN2S/c1-8(10-4-5-11(12)15-10)14-6-2-3-9(13)7-14/h4-5,8-9H,2-3,6-7,13H2,1H3
InChIKeyFYGGQWQGHBCRPY-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
1-[1-(4-chlorophenyl)ethyl]piperidin-3-amine
CID 61297742
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033
1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492
3-butan-2-yl-1-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazepane
CID 64943819
1-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63862940
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 63150324
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119410208
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
CID 54954672

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine (CID 61297752) is 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine is CC(c1ccc(Cl)s1)N1CCCC(N)C1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine?
The InChIKey is FYGGQWQGHBCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-8(10-4-5-11(12)15-10)14-6-2-3-9(13)7-14/h4-5,8-9H,2-3,6-7,13H2,1H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine?
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine has a molecular weight of 244.79 g/mol, XLogP of 2.89, 2 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]piperidin-3-amine is sourced from PubChem (CID 61297752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).