(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol

C15H22FNO2 — CID 97326203

IUPAC(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol
SMILESC[C@@]1(CO)CCCN(C[C@H](O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO2/c1-15(11-18)7-4-8-17(10-15)9-14(19)12-5-2-3-6-13(12)16/h2-3,5-6,14,18-19H,4,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyFVZGOQRBGOLCDC-LSDHHAIUSA-N
MW267.34 g/mol
LogP1.95
Rot. Bonds4

About (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol

(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol (PubChem CID 97326203) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol
PubChem CID97326203
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol
SMILESC[C@@]1(CO)CCCN(C[C@H](O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO2/c1-15(11-18)7-4-8-17(10-15)9-14(19)12-5-2-3-6-13(12)16/h2-3,5-6,14,18-19H,4,7-11H2,1H3/t14-,15+/m0/s1
InChIKeyFVZGOQRBGOLCDC-LSDHHAIUSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-3-ol
CID 115873747
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol (CID 97326203) is (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol is C[C@@]1(CO)CCCN(C[C@H](O)c2ccccc2F)C1.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol?
The InChIKey is FVZGOQRBGOLCDC-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(11-18)7-4-8-17(10-15)9-14(19)12-5-2-3-6-13(12)16/h2-3,5-6,14,18-19H,4,7-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol?
(1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol has a molecular weight of 267.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-[(3R)-3-(hydroxymethyl)-3-methylpiperidin-1-yl]ethanol is sourced from PubChem (CID 97326203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).