2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

C17H28Cl2N2 — CID 120843488

IUPAC2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(CC(C)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C17H27ClN2.ClH/c1-14(16-4-3-5-17(18)12-16)13-20-10-7-15(8-11-20)6-9-19-2;/h3-5,12,14-15,19H,6-11,13H2,1-2H3;1H
InChIKeyNAKRYOIELRRECX-UHFFFAOYSA-N
MW331.33 g/mol
LogP4.19
Rot. Bonds6

About 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120843488) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120843488
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC Name2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(CC(C)c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C17H27ClN2.ClH/c1-14(16-4-3-5-17(18)12-16)13-20-10-7-15(8-11-20)6-9-19-2;/h3-5,12,14-15,19H,6-11,13H2,1-2H3;1H
InChIKeyNAKRYOIELRRECX-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
2-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99828801
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
N-[1-[(2S)-2-(3-chlorophenyl)propyl]piperidin-4-yl]acetamide
CID 99823532
1-[2-(3-chlorophenyl)propyl]piperidin-3-amine
CID 120834767
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843473
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 111487644
[4-[2-(3-chlorophenyl)propyl]morpholin-2-yl]methanol
CID 86817957
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838983

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120843488) is 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is CNCCC1CCN(CC(C)c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is NAKRYOIELRRECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2.ClH/c1-14(16-4-3-5-17(18)12-16)13-20-10-7-15(8-11-20)6-9-19-2;/h3-5,12,14-15,19H,6-11,13H2,1-2H3;1H.
What are the key properties of 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 331.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120843488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).