2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine

C12H19ClN2S — CID 120846234

IUPAC2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2sccc2Cl)C1
InChIInChI=1S/C12H19ClN2S/c13-11-4-7-16-12(11)9-15-6-1-2-10(8-15)3-5-14/h4,7,10H,1-3,5-6,8-9,14H2
InChIKeyBERKTSDUNLKELM-UHFFFAOYSA-N
MW258.82 g/mol
LogP2.96
Rot. Bonds4

About 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine

2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 120846234) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID120846234
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(Cc2sccc2Cl)C1
InChIInChI=1S/C12H19ClN2S/c13-11-4-7-16-12(11)9-15-6-1-2-10(8-15)3-5-14/h4,7,10H,1-3,5-6,8-9,14H2
InChIKeyBERKTSDUNLKELM-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 79426860
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol
CID 107228601
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
4-bromo-1-[(3-chlorothiophen-2-yl)methyl]azepane
CID 131067632
2-[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]ethanamine
CID 120846309
1-[(3-chlorothiophen-2-yl)methyl]pyrrolidin-3-ol
CID 130511552
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine (CID 120846234) is 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine is NCCC1CCCN(Cc2sccc2Cl)C1.
What is the InChIKey of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is BERKTSDUNLKELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c13-11-4-7-16-12(11)9-15-6-1-2-10(8-15)3-5-14/h4,7,10H,1-3,5-6,8-9,14H2.
What are the key properties of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine?
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 258.82 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 120846234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).