1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

C17H27ClN2 — CID 114596708

IUPAC1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESCC1CC(C)C(C)N(CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C17H27ClN2/c1-12-10-13(2)14(3)20(11-12)9-8-17(19)15-6-4-5-7-16(15)18/h4-7,12-14,17H,8-11,19H2,1-3H3
InChIKeySDZXOKKDCUZEOM-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.10
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine

1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (PubChem CID 114596708) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
PubChem CID114596708
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
SMILESCC1CC(C)C(C)N(CCC(N)c2ccccc2Cl)C1
InChIInChI=1S/C17H27ClN2/c1-12-10-13(2)14(3)20(11-12)9-8-17(19)15-6-4-5-7-16(15)18/h4-7,12-14,17H,8-11,19H2,1-3H3
InChIKeySDZXOKKDCUZEOM-UHFFFAOYSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62644751
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777
1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052930
1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596815
1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
CID 113418867
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62642958
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 107522072
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592756

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine (CID 114596708) is 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is CC1CC(C)C(C)N(CCC(N)c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
The InChIKey is SDZXOKKDCUZEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-12-10-13(2)14(3)20(11-12)9-8-17(19)15-6-4-5-7-16(15)18/h4-7,12-14,17H,8-11,19H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine?
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 114596708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).