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

C12H20Cl2N2S — CID 120846233

IUPAC2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2sccc2Cl)C1
InChIInChI=1S/C12H19ClN2S.ClH/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;1H
InChIKeyKGZAIXTZVOANRN-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.38
Rot. Bonds4

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

2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120846233) has the molecular formula C12H20Cl2N2S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120846233
Molecular FormulaC12H20Cl2N2S
Molecular Weight295.28 g/mol
Exact Mass294.07
IUPAC Name2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2sccc2Cl)C1
InChIInChI=1S/C12H19ClN2S.ClH/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;1H
InChIKeyKGZAIXTZVOANRN-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.38
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
CID 120846234
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-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 79426860
2-[1-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]ethanol
CID 107228601
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
4-bromo-1-[(3-chlorothiophen-2-yl)methyl]azepane
CID 131067632
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120846233) is 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2sccc2Cl)C1.
What is the InChIKey of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is KGZAIXTZVOANRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S.ClH/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;1H.
What are the key properties of 2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 295.28 g/mol, XLogP of 3.38, 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;hydrochloride is sourced from PubChem (CID 120846233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).