(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol

C12H15ClFNO — CID 91365937

IUPAC(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol
SMILESOC(c1cc(F)cc(Cl)c1)[C@@H]1CCCCN1
InChIInChI=1S/C12H15ClFNO/c13-9-5-8(6-10(14)7-9)12(16)11-3-1-2-4-15-11/h5-7,11-12,15-16H,1-4H2/t11-,12?/m0/s1
InChIKeyYREQKMYWNAACDD-PXYINDEMSA-N
MW243.71 g/mol
LogP2.65
Rot. Bonds2

About (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol

(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol (PubChem CID 91365937) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol
PubChem CID91365937
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol
SMILESOC(c1cc(F)cc(Cl)c1)[C@@H]1CCCCN1
InChIInChI=1S/C12H15ClFNO/c13-9-5-8(6-10(14)7-9)12(16)11-3-1-2-4-15-11/h5-7,11-12,15-16H,1-4H2/t11-,12?/m0/s1
InChIKeyYREQKMYWNAACDD-PXYINDEMSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-2-yl-(3-chloro-4-fluorophenyl)methanol
CID 81155319
(S)-(4-amino-3,5-dichlorophenyl)-[(2R)-piperidin-2-yl]methanol
CID 23658593
(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
CID 107476748
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 66157676
(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
CID 64866828
[(S)-(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methyl]-(6-fluoro-1H-indazol-5-yl)carbamic acid
CID 91005817
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol?
The IUPAC name of (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol (CID 91365937) is (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol is OC(c1cc(F)cc(Cl)c1)[C@@H]1CCCCN1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol?
The InChIKey is YREQKMYWNAACDD-PXYINDEMSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-9-5-8(6-10(14)7-9)12(16)11-3-1-2-4-15-11/h5-7,11-12,15-16H,1-4H2/t11-,12?/m0/s1.
What are the key properties of (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol?
(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol has a molecular weight of 243.71 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol is sourced from PubChem (CID 91365937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).