(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol

C14H20FNO — CID 100852909

IUPAC(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
SMILESC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11-3-2-8-16(9-11)10-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,2-3,8-10H2,1H3/t11-,14+/m0/s1
InChIKeyOJOCGLWPIUJXJR-SMDDNHRTSA-N
MW237.32 g/mol
LogP2.59
Rot. Bonds3

About (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol

(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol (PubChem CID 100852909) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
PubChem CID100852909
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
SMILESC[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-11-3-2-8-16(9-11)10-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,2-3,8-10H2,1H3/t11-,14+/m0/s1
InChIKeyOJOCGLWPIUJXJR-SMDDNHRTSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82216087
2-(3-methylpiperidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82215815
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 95054921
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol (CID 100852909) is (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol is C[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2)C1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol?
The InChIKey is OJOCGLWPIUJXJR-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-3-2-8-16(9-11)10-14(17)12-4-6-13(15)7-5-12/h4-7,11,14,17H,2-3,8-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol?
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol is sourced from PubChem (CID 100852909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).