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

C25H41NO — CID 134486600

IUPAC4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(c2ccc(C3CCC(OC)CC3)cc2)CC1(C)C
InChIInChI=1S/C25H41NO/c1-7-16-26-24(2,3)17-22(18-25(26,4)5)21-10-8-19(9-11-21)20-12-14-23(27-6)15-13-20/h8-11,20,22-23H,7,12-18H2,1-6H3
InChIKeyKKOCWLALHJJRPP-UHFFFAOYSA-N
MW371.61 g/mol
LogP6.51
Rot. Bonds5

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

4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine (PubChem CID 134486600) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine.

Molecular Properties

Compound Name4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
PubChem CID134486600
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC Name4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine
SMILESCCCN1C(C)(C)CC(c2ccc(C3CCC(OC)CC3)cc2)CC1(C)C
InChIInChI=1S/C25H41NO/c1-7-16-26-24(2,3)17-22(18-25(26,4)5)21-10-8-19(9-11-21)20-12-14-23(27-6)15-13-20/h8-11,20,22-23H,7,12-18H2,1-6H3
InChIKeyKKOCWLALHJJRPP-UHFFFAOYSA-N
XLogP6.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The IUPAC name of 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine (CID 134486600) is 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine.
What is the SMILES notation for 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The canonical SMILES for 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine is CCCN1C(C)(C)CC(c2ccc(C3CCC(OC)CC3)cc2)CC1(C)C.
What is the InChIKey of 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
The InChIKey is KKOCWLALHJJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO/c1-7-16-26-24(2,3)17-22(18-25(26,4)5)21-10-8-19(9-11-21)20-12-14-23(27-6)15-13-20/h8-11,20,22-23H,7,12-18H2,1-6H3.
What are the key properties of 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine?
4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine has a molecular weight of 371.61 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxycyclohexyl)phenyl]-2,2,6,6-tetramethyl-1-propylpiperidine is sourced from PubChem (CID 134486600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).