2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine

C19H30N2 — CID 62936547

IUPAC2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine
SMILESCC1(C)CCN(C2CC(c3ccccc3)CCC2N)CC1
InChIInChI=1S/C19H30N2/c1-19(2)10-12-21(13-11-19)18-14-16(8-9-17(18)20)15-6-4-3-5-7-15/h3-7,16-18H,8-14,20H2,1-2H3
InChIKeyBJZLTEWKRCGEIK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.77
Rot. Bonds2

About 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine

2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine (PubChem CID 62936547) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine
PubChem CID62936547
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine
SMILESCC1(C)CCN(C2CC(c3ccccc3)CCC2N)CC1
InChIInChI=1S/C19H30N2/c1-19(2)10-12-21(13-11-19)18-14-16(8-9-17(18)20)15-6-4-3-5-7-15/h3-7,16-18H,8-14,20H2,1-2H3
InChIKeyBJZLTEWKRCGEIK-UHFFFAOYSA-N
XLogP3.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine (CID 62936547) is 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine is CC1(C)CCN(C2CC(c3ccccc3)CCC2N)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine?
The InChIKey is BJZLTEWKRCGEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(2)10-12-21(13-11-19)18-14-16(8-9-17(18)20)15-6-4-3-5-7-15/h3-7,16-18H,8-14,20H2,1-2H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 62936547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).