(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol

C16H24N2O — CID 67310310

IUPAC(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCCC1
InChIInChI=1S/C16H24N2O/c19-16-13-17(12-14-6-2-1-3-7-14)11-8-15(16)18-9-4-5-10-18/h1-3,6-7,15-16,19H,4-5,8-13H2/t15-,16-/m1/s1
InChIKeyADIZCIWMWQICPG-HZPDHXFCSA-N
MW260.38 g/mol
LogP1.72
Rot. Bonds3

About (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol

(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol (PubChem CID 67310310) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
PubChem CID67310310
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCCC1
InChIInChI=1S/C16H24N2O/c19-16-13-17(12-14-6-2-1-3-7-14)11-8-15(16)18-9-4-5-10-18/h1-3,6-7,15-16,19H,4-5,8-13H2/t15-,16-/m1/s1
InChIKeyADIZCIWMWQICPG-HZPDHXFCSA-N
XLogP1.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine
CID 134324909
(3R,4R)-1-[(4-bromophenyl)methyl]-4-(4-phenylpiperidin-1-yl)piperidin-3-ol
CID 10410357
N-[4-[[(3S,4S)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]methyl]phenyl]acetamide
CID 133133229
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R)-1-benzylazepan-3-ol
CID 124585423
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol
CID 142663954
(3R,4R)-1-[(3-bromophenyl)methyl]-4-(4-phenylpiperidin-1-yl)piperidin-3-ol
CID 11743349
(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29085357
1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156517660

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol (CID 67310310) is (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol is O[C@@H]1CN(Cc2ccccc2)CC[C@H]1N1CCCC1.
What is the InChIKey of (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol?
The InChIKey is ADIZCIWMWQICPG-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24N2O/c19-16-13-17(12-14-6-2-1-3-7-14)11-8-15(16)18-9-4-5-10-18/h1-3,6-7,15-16,19H,4-5,8-13H2/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol?
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol has a molecular weight of 260.38 g/mol, XLogP of 1.72, 3 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-pyrrolidin-1-ylpiperidin-3-ol is sourced from PubChem (CID 67310310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).