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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Related Compounds

1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175211247
1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175216623
2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
CID 175211251
2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 175211306
2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
CID 175208324
2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
CID 175407502
2-(fluoromethyl)-1-(2-phenylethyl)-2-phenylmethoxypiperidine
CID 175215705
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
methanamine;methoxymethylbenzene;piperidine-1-carbaldehyde
CID 145106893

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).