1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine

C26H35NO — CID 59293421

IUPAC1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine
SMILESCC1(C)[C@@H](COCc2ccccc2)C[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H35NO/c1-26(2)24(17-25(26)20-28-19-21-9-5-3-6-10-21)18-27-15-13-23(14-16-27)22-11-7-4-8-12-22/h3-12,23-25H,13-20H2,1-2H3/t24-,25+/m0/s1
InChIKeyBMNAOMOKYNXFDS-LOSJGSFVSA-N
MW377.57 g/mol
LogP5.75
Rot. Bonds7

About 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine

1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine (PubChem CID 59293421) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine
PubChem CID59293421
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine
SMILESCC1(C)[C@@H](COCc2ccccc2)C[C@H]1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H35NO/c1-26(2)24(17-25(26)20-28-19-21-9-5-3-6-10-21)18-27-15-13-23(14-16-27)22-11-7-4-8-12-22/h3-12,23-25H,13-20H2,1-2H3/t24-,25+/m0/s1
InChIKeyBMNAOMOKYNXFDS-LOSJGSFVSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine 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 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine?
The IUPAC name of 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine (CID 59293421) is 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine?
The canonical SMILES for 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine is CC1(C)[C@@H](COCc2ccccc2)C[C@H]1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine?
The InChIKey is BMNAOMOKYNXFDS-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H35NO/c1-26(2)24(17-25(26)20-28-19-21-9-5-3-6-10-21)18-27-15-13-23(14-16-27)22-11-7-4-8-12-22/h3-12,23-25H,13-20H2,1-2H3/t24-,25+/m0/s1.
What are the key properties of 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine?
1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine has a molecular weight of 377.57 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine is sourced from PubChem (CID 59293421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).