(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol

C15H23NO — CID 10609696

IUPAC(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
SMILESCC[C@H]1CCCCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-2-14-10-6-7-11-16(14)15(12-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+/m0/s1
InChIKeyXKWMOLGHYQKNEH-LSDHHAIUSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds4

About (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol

(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol (PubChem CID 10609696) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
PubChem CID10609696
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
SMILESCC[C@H]1CCCCN1[C@H](CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-2-14-10-6-7-11-16(14)15(12-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+/m0/s1
InChIKeyXKWMOLGHYQKNEH-LSDHHAIUSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739
2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
CID 10636143
3-(2-ethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 55147079
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
(2R)-2-[(4S)-4-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-phenylethanol
CID 42600019
tert-butyl N-[[1-(2-hydroxy-1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 23450123
tert-butyl N-[[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-yl]methyl]carbamate
CID 59571671
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol (CID 10609696) is (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol is CC[C@H]1CCCCN1[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol?
The InChIKey is XKWMOLGHYQKNEH-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-14-10-6-7-11-16(14)15(12-17)13-8-4-3-5-9-13/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol?
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol has a molecular weight of 233.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol is sourced from PubChem (CID 10609696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).