(3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine

C32H39NO2 — CID 59382371

IUPAC(3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine
SMILESCOCCCc1ccccc1CC1(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C32H39NO2/c1-34-20-8-15-26-11-5-6-12-29(26)22-32(17-18-32)24-35-31-23-33-19-16-30(31)28-14-7-13-27(21-28)25-9-3-2-4-10-25/h2-7,9-14,21,30-31,33H,8,15-20,22-24H2,1H3/t30-,31+/m1/s1
InChIKeyBQCBVIVFRPSRHY-JSOSNVBQSA-N
MW469.67 g/mol
LogP6.42
Rot. Bonds11

About (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine

(3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine (PubChem CID 59382371) has the molecular formula C32H39NO2 and a molecular weight of 469.67 g/mol. Its IUPAC name is (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine.

Molecular Properties

Compound Name(3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine
PubChem CID59382371
Molecular FormulaC32H39NO2
Molecular Weight469.67 g/mol
Exact Mass469.30
IUPAC Name(3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine
SMILESCOCCCc1ccccc1CC1(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C32H39NO2/c1-34-20-8-15-26-11-5-6-12-29(26)22-32(17-18-32)24-35-31-23-33-19-16-30(31)28-14-7-13-27(21-28)25-9-3-2-4-10-25/h2-7,9-14,21,30-31,33H,8,15-20,22-24H2,1H3/t30-,31+/m1/s1
InChIKeyBQCBVIVFRPSRHY-JSOSNVBQSA-N
XLogP6.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine?
The IUPAC name of (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine (CID 59382371) is (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine.
What is the SMILES notation for (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine?
The canonical SMILES for (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine is COCCCc1ccccc1CC1(CO[C@H]2CNCC[C@@H]2c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine?
The InChIKey is BQCBVIVFRPSRHY-JSOSNVBQSA-N. The full InChI is InChI=1S/C32H39NO2/c1-34-20-8-15-26-11-5-6-12-29(26)22-32(17-18-32)24-35-31-23-33-19-16-30(31)28-14-7-13-27(21-28)25-9-3-2-4-10-25/h2-7,9-14,21,30-31,33H,8,15-20,22-24H2,1H3/t30-,31+/m1/s1.
What are the key properties of (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine?
(3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine has a molecular weight of 469.67 g/mol, XLogP of 6.42, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[[1-[[2-(3-methoxypropyl)phenyl]methyl]cyclopropyl]methoxy]-4-(3-phenylphenyl)piperidine is sourced from PubChem (CID 59382371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).