2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol

C23H31NO — CID 10568972

IUPAC2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol
SMILESCCC[C@@H]1[C@H](CC(O)c2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C23H31NO/c1-2-10-22-21(17-23(25)20-13-7-4-8-14-20)15-9-16-24(22)18-19-11-5-3-6-12-19/h3-8,11-14,21-23,25H,2,9-10,15-18H2,1H3/t21-,22+,23?/m0/s1
InChIKeyKKBLNOCBFMHDCN-ZVTBYLAHSA-N
MW337.51 g/mol
LogP5.19
Rot. Bonds7

About 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol

2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol (PubChem CID 10568972) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol
PubChem CID10568972
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol
SMILESCCC[C@@H]1[C@H](CC(O)c2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C23H31NO/c1-2-10-22-21(17-23(25)20-13-7-4-8-14-20)15-9-16-24(22)18-19-11-5-3-6-12-19/h3-8,11-14,21-23,25H,2,9-10,15-18H2,1H3/t21-,22+,23?/m0/s1
InChIKeyKKBLNOCBFMHDCN-ZVTBYLAHSA-N
XLogP5.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
CID 18928668
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
CID 111858444
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
[(2R,3R)-1-benzyl-2-(3-phenylmethoxypropyl)piperidin-3-yl]methanol
CID 10360734
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
2-(1-benzyl-2-methylpiperidin-3-yl)ethanamine
CID 83850522
1-benzyl-2-ethyl-N-methylpiperidin-3-amine
CID 83850528
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol?
The IUPAC name of 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol (CID 10568972) is 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol?
The canonical SMILES for 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol is CCC[C@@H]1[C@H](CC(O)c2ccccc2)CCCN1Cc1ccccc1.
What is the InChIKey of 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol?
The InChIKey is KKBLNOCBFMHDCN-ZVTBYLAHSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-10-22-21(17-23(25)20-13-7-4-8-14-20)15-9-16-24(22)18-19-11-5-3-6-12-19/h3-8,11-14,21-23,25H,2,9-10,15-18H2,1H3/t21-,22+,23?/m0/s1.
What are the key properties of 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol?
2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol has a molecular weight of 337.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-1-benzyl-2-propylpiperidin-3-yl]-1-phenylethanol is sourced from PubChem (CID 10568972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).