(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol

C25H27NO2 — CID 131850383

IUPAC(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
SMILESO[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H27NO2/c27-25-18-26(17-20-8-3-1-4-9-20)15-14-24(25)22-12-7-13-23(16-22)28-19-21-10-5-2-6-11-21/h1-13,16,24-25,27H,14-15,17-19H2/t24-,25+/m1/s1
InChIKeyGJVMVDZUAGQRTM-RPBOFIJWSA-N
MW373.50 g/mol
LogP4.62
Rot. Bonds6

About (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol

(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol (PubChem CID 131850383) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
PubChem CID131850383
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
SMILESO[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H27NO2/c27-25-18-26(17-20-8-3-1-4-9-20)15-14-24(25)22-12-7-13-23(16-22)28-19-21-10-5-2-6-11-21/h1-13,16,24-25,27H,14-15,17-19H2/t24-,25+/m1/s1
InChIKeyGJVMVDZUAGQRTM-RPBOFIJWSA-N
XLogP4.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidin-3-amine
CID 129353823
1-benzyl-4-[3-[3-(oxan-2-yloxy)propoxy]phenyl]piperidin-3-ol
CID 22127008
1-benzyl-3-(naphthalen-2-ylmethoxy)-4-(3-phenylmethoxyphenyl)piperidine;2-(bromomethyl)naphthalene
CID 157424793
(3S,4R)-1-[[3-(difluoromethoxy)phenyl]methyl]-4-phenylpiperidin-3-ol
CID 162633867
methyl (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)pyrrolidine-3-carboxylate
CID 58977900
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
4-(3-methylphenyl)-1-(2-phenoxyethyl)piperidin-3-ol
CID 54121701
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 74248786

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol (CID 131850383) is (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol is O[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol?
The InChIKey is GJVMVDZUAGQRTM-RPBOFIJWSA-N. The full InChI is InChI=1S/C25H27NO2/c27-25-18-26(17-20-8-3-1-4-9-20)15-14-24(25)22-12-7-13-23(16-22)28-19-21-10-5-2-6-11-21/h1-13,16,24-25,27H,14-15,17-19H2/t24-,25+/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol?
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol has a molecular weight of 373.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 131850383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).