(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol

C19H23NO2 — CID 92976626

IUPAC(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@]2(O)CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO2/c1-22-18-10-8-17(9-11-18)19(21)12-5-13-20(15-19)14-16-6-3-2-4-7-16/h2-4,6-11,21H,5,12-15H2,1H3/t19-/m0/s1
InChIKeyCNIBEWABPVGSSN-IBGZPJMESA-N
MW297.40 g/mol
LogP3.18
Rot. Bonds4

About (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol

(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol (PubChem CID 92976626) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
PubChem CID92976626
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@]2(O)CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H23NO2/c1-22-18-10-8-17(9-11-18)19(21)12-5-13-20(15-19)14-16-6-3-2-4-7-16/h2-4,6-11,21H,5,12-15H2,1H3/t19-/m0/s1
InChIKeyCNIBEWABPVGSSN-IBGZPJMESA-N
XLogP3.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
CID 19424718
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11711307
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol
CID 113341056
1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
CID 44514801
lithium;3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]benzoic acid;hydride
CID 173126199
3-benzyl-9-[(4-methoxyphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene
CID 134794834
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol?
The IUPAC name of (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol (CID 92976626) is (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol?
The canonical SMILES for (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol is COc1ccc([C@]2(O)CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol?
The InChIKey is CNIBEWABPVGSSN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NO2/c1-22-18-10-8-17(9-11-18)19(21)12-5-13-20(15-19)14-16-6-3-2-4-7-16/h2-4,6-11,21H,5,12-15H2,1H3/t19-/m0/s1.
What are the key properties of (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol?
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol has a molecular weight of 297.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 92976626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).