(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol

C17H26N2O — CID 133118132

IUPAC(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
SMILESO[C@@H]1CN(CCc2ccccc2)C[C@H]1N1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17-14-18(12-9-15-7-3-1-4-8-15)13-16(17)19-10-5-2-6-11-19/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2/t16-,17-/m1/s1
InChIKeyGVELTJKIWOBOOS-IAGOWNOFSA-N
MW274.41 g/mol
LogP1.76
Rot. Bonds4

About (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol

(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol (PubChem CID 133118132) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
PubChem CID133118132
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
SMILESO[C@@H]1CN(CCc2ccccc2)C[C@H]1N1CCCCC1
InChIInChI=1S/C17H26N2O/c20-17-14-18(12-9-15-7-3-1-4-8-15)13-16(17)19-10-5-2-6-11-19/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2/t16-,17-/m1/s1
InChIKeyGVELTJKIWOBOOS-IAGOWNOFSA-N
XLogP1.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.76
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-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
(3R,4R)-1-[[2-(benzylamino)pyrimidin-5-yl]methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 133135313
1-[4-[(3S,4R)-4-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 129462097
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
7-methyl-3-(2-phenylethyl)-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 24833923
(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29085357
(4R)-1-benzyl-4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]pyrrolidin-3-ol
CID 91176657
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol (CID 133118132) is (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol is O[C@@H]1CN(CCc2ccccc2)C[C@H]1N1CCCCC1.
What is the InChIKey of (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol?
The InChIKey is GVELTJKIWOBOOS-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-14-18(12-9-15-7-3-1-4-8-15)13-16(17)19-10-5-2-6-11-19/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2/t16-,17-/m1/s1.
What are the key properties of (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol?
(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol has a molecular weight of 274.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 133118132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).