3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine

C16H25ClN2 — CID 84752060

IUPAC3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCN(C(C)(CN)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H25ClN2/c1-13-4-3-9-19(11-13)16(2,12-18)10-14-5-7-15(17)8-6-14/h5-8,13H,3-4,9-12,18H2,1-2H3
InChIKeyIIECLRBSVPYFBW-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.33
Rot. Bonds4

About 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine

3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine (PubChem CID 84752060) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
PubChem CID84752060
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCN(C(C)(CN)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H25ClN2/c1-13-4-3-9-19(11-13)16(2,12-18)10-14-5-7-15(17)8-6-14/h5-8,13H,3-4,9-12,18H2,1-2H3
InChIKeyIIECLRBSVPYFBW-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 84752076
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84752139
2-methyl-2-(3-methylpiperidin-1-yl)butan-1-amine
CID 24693649
3-(4-ethylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84752283
2-(azepan-1-yl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 84752027
2-(3-methoxypyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 103531552
2-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 102964995
2-methyl-2-(3-methylpiperidin-1-yl)-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751695
2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114831347
2-methyl-2-(2-methylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 114993616
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
1-(4-chlorophenoxy)-3-methylpiperidine
CID 175299873

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine (CID 84752060) is 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine is CC1CCCN(C(C)(CN)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is IIECLRBSVPYFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-13-4-3-9-19(11-13)16(2,12-18)10-14-5-7-15(17)8-6-14/h5-8,13H,3-4,9-12,18H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine?
3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 84752060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).