1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol

C14H19ClFNO2 — CID 70762161

IUPAC1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESCc1ccc(Cl)c(CN2CCCC(O)(CO)C2)c1F
InChIInChI=1S/C14H19ClFNO2/c1-10-3-4-12(15)11(13(10)16)7-17-6-2-5-14(19,8-17)9-18/h3-4,18-19H,2,5-9H2,1H3
InChIKeyXOIQVCYCMYKQLU-UHFFFAOYSA-N
MW287.76 g/mol
LogP2.11
Rot. Bonds3

About 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol

1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 70762161) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
PubChem CID70762161
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESCc1ccc(Cl)c(CN2CCCC(O)(CO)C2)c1F
InChIInChI=1S/C14H19ClFNO2/c1-10-3-4-12(15)11(13(10)16)7-17-6-2-5-14(19,8-17)9-18/h3-4,18-19H,2,5-9H2,1H3
InChIKeyXOIQVCYCMYKQLU-UHFFFAOYSA-N
XLogP2.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Piperidinediol, 6-(2-chlorophenyl)-1,3-dimethyl-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051058
3,4-Piperidinediol, 6-(4-chlorophenyl)-1,3-dimethyl-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051060
[1-[(2-Chloro-6-fluorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]methanol
CID 156602318
1-(3-Chloro-2-fluorobenzyl)-4-(hydroxymethyl)-4-azepanol
CID 56904231
[(3S)-1-[2-[(6-chloro-2-fluoro-3-methylphenyl)methylamino]ethyl]piperidin-3-yl]methanol
CID 164632685
(4S)-4-[(2-chloro-3-fluorophenyl)methyl-methylamino]pentane-1,2-diol
CID 91291463
(2S,4S)-4-[(2-chloro-3-fluorophenyl)methyl-methylamino]pentane-1,2-diol
CID 123173804
2-[2-Chloro-5-(trifluoromethyl)phenyl]-1-propylpiperidin-4-ol
CID 151665899
(2R,3R,4R,5S)-1-[2-(4-chloro-2-fluorophenyl)ethyl]-2-methylpiperidine-3,4,5-triol
CID 155286459
1-[2-(4-Chloro-2-fluorophenyl)ethyl]piperidine-3,4,5-triol
CID 157039067
(3S,5R)-1-[2-(4-chloro-2-fluorophenyl)ethyl]piperidine-3,4,5-triol
CID 157039310
(3S,4S,6S)-6-(2-chlorophenyl)-1,3-dimethylpiperidine-3,4-diol
CID 3051059

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol (CID 70762161) is 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol is Cc1ccc(Cl)c(CN2CCCC(O)(CO)C2)c1F.
What is the InChIKey of 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is XOIQVCYCMYKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-10-3-4-12(15)11(13(10)16)7-17-6-2-5-14(19,8-17)9-18/h3-4,18-19H,2,5-9H2,1H3.
What are the key properties of 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 287.76 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 70762161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).