1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine

C25H41NO — CID 134486625

IUPAC1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine
SMILESCCCOC1CCC(c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)CC1
InChIInChI=1S/C25H41NO/c1-7-16-27-23-14-12-20(13-15-23)19-8-10-21(11-9-19)22-17-24(2,3)26(6)25(4,5)18-22/h8-11,20,22-23H,7,12-18H2,1-6H3
InChIKeyGKLROTWSCZKBRO-UHFFFAOYSA-N
MW371.61 g/mol
LogP6.51
Rot. Bonds5

About 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine

1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine (PubChem CID 134486625) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine
PubChem CID134486625
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC Name1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine
SMILESCCCOC1CCC(c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)CC1
InChIInChI=1S/C25H41NO/c1-7-16-27-23-14-12-20(13-15-23)19-8-10-21(11-9-19)22-17-24(2,3)26(6)25(4,5)18-22/h8-11,20,22-23H,7,12-18H2,1-6H3
InChIKeyGKLROTWSCZKBRO-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 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine (CID 134486625) is 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine is CCCOC1CCC(c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)CC1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine?
The InChIKey is GKLROTWSCZKBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO/c1-7-16-27-23-14-12-20(13-15-23)19-8-10-21(11-9-19)22-17-24(2,3)26(6)25(4,5)18-22/h8-11,20,22-23H,7,12-18H2,1-6H3.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine?
1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine 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 1,2,2,6,6-pentamethyl-4-[4-(4-propoxycyclohexyl)phenyl]piperidine is sourced from PubChem (CID 134486625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).