1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine

C18H30N2 — CID 103503923

IUPAC1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCc1cc(N2CCC(C(C)C)CC2)ccc1CC(C)N
InChIInChI=1S/C18H30N2/c1-13(2)16-7-9-20(10-8-16)18-6-5-17(12-15(4)19)14(3)11-18/h5-6,11,13,15-16H,7-10,12,19H2,1-4H3
InChIKeyYXUAGNUQKSNSIY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.76
Rot. Bonds4

About 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine

1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine (PubChem CID 103503923) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
PubChem CID103503923
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
SMILESCc1cc(N2CCC(C(C)C)CC2)ccc1CC(C)N
InChIInChI=1S/C18H30N2/c1-13(2)16-7-9-20(10-8-16)18-6-5-17(12-15(4)19)14(3)11-18/h5-6,11,13,15-16H,7-10,12,19H2,1-4H3
InChIKeyYXUAGNUQKSNSIY-UHFFFAOYSA-N
XLogP3.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(chloromethyl)-3-methylphenyl]-4-propan-2-ylpiperidine
CID 103498686
1-[2-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 55236036
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine
CID 63817795
1-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793962
1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63794169
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methylphenyl]propan-2-amine
CID 63816721
1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626665
N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62134046
1-[4-(bromomethyl)-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperidine
CID 107085565
3-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505094
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine
CID 55237187

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine (CID 103503923) is 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine is Cc1cc(N2CCC(C(C)C)CC2)ccc1CC(C)N.
What is the InChIKey of 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
The InChIKey is YXUAGNUQKSNSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13(2)16-7-9-20(10-8-16)18-6-5-17(12-15(4)19)14(3)11-18/h5-6,11,13,15-16H,7-10,12,19H2,1-4H3.
What are the key properties of 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine?
1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 103503923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).