1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine

C18H30N2 — CID 63794169

IUPAC1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCC(C)(C)CC2)cc1C
InChIInChI=1S/C18H30N2/c1-5-16(19)13-15-6-7-17(12-14(15)2)20-10-8-18(3,4)9-11-20/h6-7,12,16H,5,8-11,13,19H2,1-4H3
InChIKeyVRLWARBMRACUBL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine

1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine (PubChem CID 63794169) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
PubChem CID63794169
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(N2CCC(C)(C)CC2)cc1C
InChIInChI=1S/C18H30N2/c1-5-16(19)13-15-6-7-17(12-14(15)2)20-10-8-18(3,4)9-11-20/h6-7,12,16H,5,8-11,13,19H2,1-4H3
InChIKeyVRLWARBMRACUBL-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-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-[2-methyl-4-(4-propylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793962
1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63787083
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63815162
N-[[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62930040
1-[2-methyl-4-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503923
1-[4-chloro-2-(3,3-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114862009
1-[2-(4,4-dimethylazepan-1-yl)phenyl]butan-2-amine
CID 65286445
1-[4-(3,5-diethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 82699660
1-[4-(4,4-dimethylazepan-1-yl)-3-methylphenyl]butan-2-amine
CID 65286543
1-[4-(3-ethylmorpholin-4-yl)-2-methylphenyl]butan-2-amine
CID 63785824
5-(4,4-dimethylazepan-1-yl)-2-methylaniline
CID 65283379
1-[4-(4,4-diethylpiperidin-1-yl)phenyl]butan-2-amine
CID 63794705

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine (CID 63794169) is 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(N2CCC(C)(C)CC2)cc1C.
What is the InChIKey of 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine?
The InChIKey is VRLWARBMRACUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-16(19)13-15-6-7-17(12-14(15)2)20-10-8-18(3,4)9-11-20/h6-7,12,16H,5,8-11,13,19H2,1-4H3.
What are the key properties of 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine?
1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-dimethylpiperidin-1-yl)-2-methylphenyl]butan-2-amine is sourced from PubChem (CID 63794169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).