1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine

C15H23ClN2 — CID 117024465

IUPAC1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)cc2C)CC1(C)C
InChIInChI=1S/C15H23ClN2/c1-11-9-12(16)5-6-13(11)18-8-7-14(17-4)15(2,3)10-18/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyZVELDOFQAHSPOC-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.47
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine

1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine (PubChem CID 117024465) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine
PubChem CID117024465
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(Cl)cc2C)CC1(C)C
InChIInChI=1S/C15H23ClN2/c1-11-9-12(16)5-6-13(11)18-8-7-14(17-4)15(2,3)10-18/h5-6,9,14,17H,7-8,10H2,1-4H3
InChIKeyZVELDOFQAHSPOC-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,3-dimethyl-4-(methylamino)piperidin-1-yl]benzonitrile
CID 117024484
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
1-(2,4-dimethylphenyl)-3,3-dimethylpiperidine-4-carbonitrile
CID 117024520
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
8-(4-chloro-2-methylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739478
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
1-(4-chloro-2-methylphenyl)-4-methyl-1,5-diazocane
CID 117014587
methyl 1-(4-chloro-2-methylphenyl)piperidine-3-carboxylate
CID 117028082
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511752
2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028465
3-amino-1-(4-chloro-2-methylphenyl)pyrrolidine-3-carbonitrile
CID 117012987
1-(2-bromo-4-chlorophenyl)-N-methylpiperidin-4-amine
CID 81280758

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine (CID 117024465) is 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine is CNC1CCN(c2ccc(Cl)cc2C)CC1(C)C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine?
The InChIKey is ZVELDOFQAHSPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-9-12(16)5-6-13(11)18-8-7-14(17-4)15(2,3)10-18/h5-6,9,14,17H,7-8,10H2,1-4H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine?
1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine has a molecular weight of 266.82 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N,3,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 117024465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).