1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine

C16H25ClN2 — CID 62644751

IUPAC1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCC(N)c2ccccc2Cl)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-12-7-9-19(13(2)11-12)10-8-16(18)14-5-3-4-6-15(14)17/h3-6,12-13,16H,7-11,18H2,1-2H3
InChIKeyIMSNGVMYHLIKFL-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine

1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine (PubChem CID 62644751) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
PubChem CID62644751
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine
SMILESCC1CCN(CCC(N)c2ccccc2Cl)C(C)C1
InChIInChI=1S/C16H25ClN2/c1-12-7-9-19(13(2)11-12)10-8-16(18)14-5-3-4-6-15(14)17/h3-6,12-13,16H,7-11,18H2,1-2H3
InChIKeyIMSNGVMYHLIKFL-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
1-(2-chlorophenyl)-3-(3-ethylpyrrolidin-1-yl)propan-1-amine
CID 113418867
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62642958
1-(2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62643809
1-(4-bromo-2-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82780041
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
1-[3-amino-3-(2-chlorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052930
1-(4-bromo-2-chlorophenyl)-3-(2-methylazepan-1-yl)propan-1-amine
CID 82781669
2-amino-4-(2,4-dimethylpiperidin-1-yl)butan-1-ol
CID 64787601
1-(2-chlorophenyl)-3-[3-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 106589024
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]aniline
CID 62496588

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine (CID 62644751) is 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine is CC1CCN(CCC(N)c2ccccc2Cl)C(C)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine?
The InChIKey is IMSNGVMYHLIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12-7-9-19(13(2)11-12)10-8-16(18)14-5-3-4-6-15(14)17/h3-6,12-13,16H,7-11,18H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine?
1-(2-chlorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 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-(2,4-dimethylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62644751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).