1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine

C11H17ClN2S — CID 82294536

IUPAC1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
SMILESNC(CN1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2S/c12-11-5-4-10(15-11)9(13)8-14-6-2-1-3-7-14/h4-5,9H,1-3,6-8,13H2
InChIKeyVHRMHVUNXDQFCD-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.89
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine

1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine (PubChem CID 82294536) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
PubChem CID82294536
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
SMILESNC(CN1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2S/c12-11-5-4-10(15-11)9(13)8-14-6-2-1-3-7-14/h4-5,9H,1-3,6-8,13H2
InChIKeyVHRMHVUNXDQFCD-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

(1S,2R)-2-amino-1-(5-chlorothiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70230035
2-(azocan-1-yl)-1-thiophen-2-ylethanamine
CID 115287666
3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851396
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 54906711
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206934
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821386

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine (CID 82294536) is 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine is NC(CN1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine?
The InChIKey is VHRMHVUNXDQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-11-5-4-10(15-11)9(13)8-14-6-2-1-3-7-14/h4-5,9H,1-3,6-8,13H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine?
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine has a molecular weight of 244.79 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 82294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).