1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine

C16H26N2 — CID 117020196

IUPAC1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C)c(C)c2)C(C)(C)C1
InChIInChI=1S/C16H26N2/c1-12-6-7-15(10-13(12)2)18-9-8-14(17-5)11-16(18,3)4/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeyGQFDNXPYMOEFJL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.27
Rot. Bonds2

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

1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine (PubChem CID 117020196) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
PubChem CID117020196
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(C)c(C)c2)C(C)(C)C1
InChIInChI=1S/C16H26N2/c1-12-6-7-15(10-13(12)2)18-9-8-14(17-5)11-16(18,3)4/h6-7,10,14,17H,8-9,11H2,1-5H3
InChIKeyGQFDNXPYMOEFJL-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018211
1-(3-chlorophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020209
1-(4-bromo-3-methylphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018261
8-(3,4-dimethylphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739961
1-(3,4-dimethylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020025
1-(3-chloro-4-methylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020289
1-(3-bromo-4-methylphenyl)-N,6,6-trimethylpiperidin-3-amine
CID 117021116
1-(3,4-dimethylphenyl)-N,2,3-trimethylpiperidin-4-amine
CID 79397573
N,2,2-trimethyl-1-(2-propan-2-ylphenyl)piperidin-4-amine
CID 117020203
1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
1-(4-bromo-3-methylphenyl)-N-methylpiperidin-4-amine
CID 60861630
1-(3-chlorophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018228

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine (CID 117020196) is 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine is CNC1CCN(c2ccc(C)c(C)c2)C(C)(C)C1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine?
The InChIKey is GQFDNXPYMOEFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-7-15(10-13(12)2)18-9-8-14(17-5)11-16(18,3)4/h6-7,10,14,17H,8-9,11H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine?
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine is sourced from PubChem (CID 117020196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).