4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine

C31H51NO — CID 134486477

IUPAC4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(c2ccc(C3CCC(C4CCC(OC)CC4)CC3)cc2)CC1(C)C
InChIInChI=1S/C31H51NO/c1-7-20-32-30(2,3)21-28(22-31(32,4)5)27-14-12-24(13-15-27)23-8-10-25(11-9-23)26-16-18-29(33-6)19-17-26/h12-15,23,25-26,28-29H,7-11,16-22H2,1-6H3
InChIKeyCPOHGADEJAJLHO-UHFFFAOYSA-N
MW453.76 g/mol
LogP8.31
Rot. Bonds6

About 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine

4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine (PubChem CID 134486477) has the molecular formula C31H51NO and a molecular weight of 453.76 g/mol. Its IUPAC name is 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine.

Molecular Properties

Compound Name4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
PubChem CID134486477
Molecular FormulaC31H51NO
Molecular Weight453.76 g/mol
Exact Mass453.40
IUPAC Name4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(c2ccc(C3CCC(C4CCC(OC)CC4)CC3)cc2)CC1(C)C
InChIInChI=1S/C31H51NO/c1-7-20-32-30(2,3)21-28(22-31(32,4)5)27-14-12-24(13-15-27)23-8-10-25(11-9-23)26-16-18-29(33-6)19-17-26/h12-15,23,25-26,28-29H,7-11,16-22H2,1-6H3
InChIKeyCPOHGADEJAJLHO-UHFFFAOYSA-N
XLogP8.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.76
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The IUPAC name of 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine (CID 134486477) is 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine.
What is the SMILES notation for 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The canonical SMILES for 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine is CCCN1C(C)(C)CC(c2ccc(C3CCC(C4CCC(OC)CC4)CC3)cc2)CC1(C)C.
What is the InChIKey of 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The InChIKey is CPOHGADEJAJLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51NO/c1-7-20-32-30(2,3)21-28(22-31(32,4)5)27-14-12-24(13-15-27)23-8-10-25(11-9-23)26-16-18-29(33-6)19-17-26/h12-15,23,25-26,28-29H,7-11,16-22H2,1-6H3.
What are the key properties of 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine has a molecular weight of 453.76 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-methoxycyclohexyl)cyclohexyl]phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine is sourced from PubChem (CID 134486477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).