1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

C15H24Cl2N2 — CID 119925793

IUPAC1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(C(C)c2cccc(Cl)c2)C1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-11(17)14-6-4-8-18(10-14)12(2)13-5-3-7-15(16)9-13;/h3,5,7,9,11-12,14H,4,6,8,10,17H2,1-2H3;1H
InChIKeyNMZPKIHAPOQYPH-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.88
Rot. Bonds3

About 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride

1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925793) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925793
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(C(C)c2cccc(Cl)c2)C1.Cl
InChIInChI=1S/C15H23ClN2.ClH/c1-11(17)14-6-4-8-18(10-14)12(2)13-5-3-7-15(16)9-13;/h3,5,7,9,11-12,14H,4,6,8,10,17H2,1-2H3;1H
InChIKeyNMZPKIHAPOQYPH-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
N-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]methanesulfonamide
CID 86825009
1-[1-[1-(5-chlorothiophen-3-yl)ethyl]piperidin-3-yl]ethanamine
CID 114082900
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
N-[[(3R)-1-[(1R)-1-(3-chlorophenyl)ethyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100838908
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925499
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210
1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 119596142
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride (CID 119925793) is 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(C(C)c2cccc(Cl)c2)C1.Cl.
What is the InChIKey of 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is NMZPKIHAPOQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2.ClH/c1-11(17)14-6-4-8-18(10-14)12(2)13-5-3-7-15(16)9-13;/h3,5,7,9,11-12,14H,4,6,8,10,17H2,1-2H3;1H.
What are the key properties of 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 303.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).