[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride

C19H25ClN2O2S — CID 119595140

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-13(20)15-9-6-10-21(12-15)19(22)18-16(23-2)11-17(24-18)14-7-4-3-5-8-14;/h3-5,7-8,11,13,15H,6,9-10,12,20H2,1-2H3;1H
InChIKeyFXFDMCFMHUBSQQ-UHFFFAOYSA-N
MW380.94 g/mol
LogP4.04
Rot. Bonds4

About [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride (PubChem CID 119595140) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
PubChem CID119595140
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
SMILESCOc1cc(-c2ccccc2)sc1C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-13(20)15-9-6-10-21(12-15)19(22)18-16(23-2)11-17(24-18)14-7-4-3-5-8-14;/h3-5,7-8,11,13,15H,6,9-10,12,20H2,1-2H3;1H
InChIKeyFXFDMCFMHUBSQQ-UHFFFAOYSA-N
XLogP4.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119379893
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
[3-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119595025
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119594927
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81119549
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
[3-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119594083
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119595143
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119596410
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119594599
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride (CID 119595140) is [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride is COc1cc(-c2ccccc2)sc1C(=O)N1CCCC(C(C)N)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is FXFDMCFMHUBSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c1-13(20)15-9-6-10-21(12-15)19(22)18-16(23-2)11-17(24-18)14-7-4-3-5-8-14;/h3-5,7-8,11,13,15H,6,9-10,12,20H2,1-2H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119595140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).