1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine

C24H39N — CID 155068602

IUPAC1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCN(CC3CCC(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H39N/c1-18(2)21-7-5-20(6-8-21)17-25-15-13-24(14-16-25)23-11-9-22(10-12-23)19(3)4/h9-12,18-21,24H,5-8,13-17H2,1-4H3
InChIKeyZHBWEEPZHKKUAY-UHFFFAOYSA-N
MW341.58 g/mol
LogP6.45
Rot. Bonds5

About 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine

1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine (PubChem CID 155068602) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
PubChem CID155068602
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccc(C2CCN(CC3CCC(C(C)C)CC3)CC2)cc1
InChIInChI=1S/C24H39N/c1-18(2)21-7-5-20(6-8-21)17-25-15-13-24(14-16-25)23-11-9-22(10-12-23)19(3)4/h9-12,18-21,24H,5-8,13-17H2,1-4H3
InChIKeyZHBWEEPZHKKUAY-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine?
The IUPAC name of 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine (CID 155068602) is 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine is CC(C)c1ccc(C2CCN(CC3CCC(C(C)C)CC3)CC2)cc1.
What is the InChIKey of 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine?
The InChIKey is ZHBWEEPZHKKUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N/c1-18(2)21-7-5-20(6-8-21)17-25-15-13-24(14-16-25)23-11-9-22(10-12-23)19(3)4/h9-12,18-21,24H,5-8,13-17H2,1-4H3.
What are the key properties of 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine?
1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine has a molecular weight of 341.58 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylcyclohexyl)methyl]-4-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 155068602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).