N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine

C18H29N3 — CID 63996073

IUPACN-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCC1CCC(NC2CCN(c3ccncc3)CC2)C(C)C1
InChIInChI=1S/C18H29N3/c1-14-3-4-18(15(2)13-14)20-16-7-11-21(12-8-16)17-5-9-19-10-6-17/h5-6,9-10,14-16,18,20H,3-4,7-8,11-13H2,1-2H3
InChIKeyHVFZADSZKFZIRP-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.46
Rot. Bonds3

About N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine

N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 63996073) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine
PubChem CID63996073
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCC1CCC(NC2CCN(c3ccncc3)CC2)C(C)C1
InChIInChI=1S/C18H29N3/c1-14-3-4-18(15(2)13-14)20-16-7-11-21(12-8-16)17-5-9-19-10-6-17/h5-6,9-10,14-16,18,20H,3-4,7-8,11-13H2,1-2H3
InChIKeyHVFZADSZKFZIRP-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine (CID 63996073) is N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine is CC1CCC(NC2CCN(c3ccncc3)CC2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is HVFZADSZKFZIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-3-4-18(15(2)13-14)20-16-7-11-21(12-8-16)17-5-9-19-10-6-17/h5-6,9-10,14-16,18,20H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine?
N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 287.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 63996073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).