1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine

C23H35NO — CID 175205971

IUPAC1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCC(C2CC2)CC1
InChIInChI=1S/C23H35NO/c1-23(25-18-20-7-3-2-4-8-20)15-5-6-16-24(23)17-19-9-11-21(12-10-19)22-13-14-22/h2-4,7-8,19,21-22H,5-6,9-18H2,1H3
InChIKeyGTMMCFCORNLLMT-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.62
Rot. Bonds6

About 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine

1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine (PubChem CID 175205971) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
PubChem CID175205971
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCC(C2CC2)CC1
InChIInChI=1S/C23H35NO/c1-23(25-18-20-7-3-2-4-8-20)15-5-6-16-24(23)17-19-9-11-21(12-10-19)22-13-14-22/h2-4,7-8,19,21-22H,5-6,9-18H2,1H3
InChIKeyGTMMCFCORNLLMT-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
The IUPAC name of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine (CID 175205971) is 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine.
What is the SMILES notation for 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
The canonical SMILES for 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine is CC1(OCc2ccccc2)CCCCN1CC1CCC(C2CC2)CC1.
What is the InChIKey of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
The InChIKey is GTMMCFCORNLLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-23(25-18-20-7-3-2-4-8-20)15-5-6-16-24(23)17-19-9-11-21(12-10-19)22-13-14-22/h2-4,7-8,19,21-22H,5-6,9-18H2,1H3.
What are the key properties of 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine has a molecular weight of 341.54 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine is sourced from PubChem (CID 175205971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).