(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol

C15H22FNO — CID 124865065

IUPAC(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol
SMILESCc1ccc(F)c(CN2CCC[C@H]([C@H](C)O)C2)c1
InChIInChI=1S/C15H22FNO/c1-11-5-6-15(16)14(8-11)10-17-7-3-4-13(9-17)12(2)18/h5-6,8,12-13,18H,3-4,7,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyRXNWDGOQBSECFP-STQMWFEESA-N
MW251.34 g/mol
LogP2.73
Rot. Bonds3

About (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol

(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol (PubChem CID 124865065) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol
PubChem CID124865065
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol
SMILESCc1ccc(F)c(CN2CCC[C@H]([C@H](C)O)C2)c1
InChIInChI=1S/C15H22FNO/c1-11-5-6-15(16)14(8-11)10-17-7-3-4-13(9-17)12(2)18/h5-6,8,12-13,18H,3-4,7,9-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyRXNWDGOQBSECFP-STQMWFEESA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63853047
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
CID 83811097
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
4-fluoro-3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103657062
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453780
3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
CID 63386784
2-[1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83200099

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol (CID 124865065) is (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol is Cc1ccc(F)c(CN2CCC[C@H]([C@H](C)O)C2)c1.
What is the InChIKey of (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol?
The InChIKey is RXNWDGOQBSECFP-STQMWFEESA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-5-6-15(16)14(8-11)10-17-7-3-4-13(9-17)12(2)18/h5-6,8,12-13,18H,3-4,7,9-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol?
(1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-1-[(2-fluoro-5-methylphenyl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 124865065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).