1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine

C16H26N2 — CID 115710203

IUPAC1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(C)CC2C)cc1
InChIInChI=1S/C16H26N2/c1-12-5-7-15(8-6-12)14(3)17-16-9-10-18(4)11-13(16)2/h5-8,13-14,16-17H,9-11H2,1-4H3
InChIKeyFPFKOMHUNBZEBC-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.99
Rot. Bonds3

About 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine

1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine (PubChem CID 115710203) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
PubChem CID115710203
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(C(C)NC2CCN(C)CC2C)cc1
InChIInChI=1S/C16H26N2/c1-12-5-7-15(8-6-12)14(3)17-16-9-10-18(4)11-13(16)2/h5-8,13-14,16-17H,9-11H2,1-4H3
InChIKeyFPFKOMHUNBZEBC-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 115707104
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115716888
N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115714676
N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine (CID 115710203) is 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine is Cc1ccc(C(C)NC2CCN(C)CC2C)cc1.
What is the InChIKey of 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
The InChIKey is FPFKOMHUNBZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-7-15(8-6-12)14(3)17-16-9-10-18(4)11-13(16)2/h5-8,13-14,16-17H,9-11H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine?
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine has a molecular weight of 246.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115710203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).