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

C14H19ClFNO2 — CID 95886650

IUPAC(3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESCc1ccc(Cl)c(CN2CCC[C@@](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/t14-/m0/s1
InChIKeyXOIQVCYCMYKQLU-AWEZNQCLSA-N
MW287.76 g/mol
LogP2.11
Rot. Bonds3

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

(3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 95886650) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
PubChem CID95886650
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name(3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
SMILESCc1ccc(Cl)c(CN2CCC[C@@](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/t14-/m0/s1
InChIKeyXOIQVCYCMYKQLU-AWEZNQCLSA-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

N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95221553
(3S)-1-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95895331
(3R)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95867256
[1-[(2-chloro-6-fluorophenyl)methyl]-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45189123
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 56916014
3-(hydroxymethyl)-1-propylpiperidin-3-ol
CID 130689857
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 103887242
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401
1-[5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 91760668
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
(3S)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95720126

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol (CID 95886650) is (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol is Cc1ccc(Cl)c(CN2CCC[C@@](O)(CO)C2)c1F.
What is the InChIKey of (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is XOIQVCYCMYKQLU-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol?
(3S)-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 (3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 95886650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).