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

C13H18FNO — CID 24904595

IUPAC(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
SMILESCc1cccc(CN2CCC[C@H](O)C2)c1F
InChIInChI=1S/C13H18FNO/c1-10-4-2-5-11(13(10)14)8-15-7-3-6-12(16)9-15/h2,4-5,12,16H,3,6-9H2,1H3/t12-/m0/s1
InChIKeyMUTIVJHRCZZXJZ-LBPRGKRZSA-N
MW223.29 g/mol
LogP2.09
Rot. Bonds2

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

(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol (PubChem CID 24904595) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
PubChem CID24904595
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol
SMILESCc1cccc(CN2CCC[C@H](O)C2)c1F
InChIInChI=1S/C13H18FNO/c1-10-4-2-5-11(13(10)14)8-15-7-3-6-12(16)9-15/h2,4-5,12,16H,3,6-9H2,1H3/t12-/m0/s1
InChIKeyMUTIVJHRCZZXJZ-LBPRGKRZSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462681
1-[(2-fluoro-3-methylphenyl)methyl]-3-methylpiperazine
CID 83811096
1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
1-[3-(2,3-dimethylphenoxy)propyl]piperidin-3-ol
CID 127029872
(3S)-1-[(3-chloro-2-methylphenyl)methyl]pyrrolidin-3-ol
CID 93478443
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol (CID 24904595) is (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol is Cc1cccc(CN2CCC[C@H](O)C2)c1F.
What is the InChIKey of (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol?
The InChIKey is MUTIVJHRCZZXJZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-4-2-5-11(13(10)14)8-15-7-3-6-12(16)9-15/h2,4-5,12,16H,3,6-9H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol?
(3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol has a molecular weight of 223.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-fluoro-3-methylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 24904595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).