[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol

C20H25NO — CID 141122273

IUPAC[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
SMILESCc1ccccc1[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C20H25NO/c1-16-7-5-6-10-19(16)20-11-12-21(14-18(20)15-22)13-17-8-3-2-4-9-17/h2-10,18,20,22H,11-15H2,1H3/t18-,20+/m1/s1
InChIKeyADEVZNITXRVWLJ-QUCCMNQESA-N
MW295.43 g/mol
LogP3.59
Rot. Bonds4

About [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol

[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol (PubChem CID 141122273) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
PubChem CID141122273
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
SMILESCc1ccccc1[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO
InChIInChI=1S/C20H25NO/c1-16-7-5-6-10-19(16)20-11-12-21(14-18(20)15-22)13-17-8-3-2-4-9-17/h2-10,18,20,22H,11-15H2,1H3/t18-,20+/m1/s1
InChIKeyADEVZNITXRVWLJ-QUCCMNQESA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-(2-methylphenyl)piperidine-3-carboxylic acid
CID 23157106
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[(3R,4R)-1-benzyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]methanol
CID 67782895
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
3-[[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]benzoic acid
CID 136583635
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol (CID 141122273) is [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol is Cc1ccccc1[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO.
What is the InChIKey of [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol?
The InChIKey is ADEVZNITXRVWLJ-QUCCMNQESA-N. The full InChI is InChI=1S/C20H25NO/c1-16-7-5-6-10-19(16)20-11-12-21(14-18(20)15-22)13-17-8-3-2-4-9-17/h2-10,18,20,22H,11-15H2,1H3/t18-,20+/m1/s1.
What are the key properties of [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol?
[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol has a molecular weight of 295.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 141122273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).