[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride

C13H18ClF2NO — CID 154892250

IUPAC[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(Cc2ccc(F)cc2F)CCCNC1
InChIInChI=1S/C13H17F2NO.ClH/c14-11-3-2-10(12(15)6-11)7-13(9-17)4-1-5-16-8-13;/h2-3,6,16-17H,1,4-5,7-9H2;1H
InChIKeyMNBYMCHGAZQNEY-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.29
Rot. Bonds3

About [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride

[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride (PubChem CID 154892250) has the molecular formula C13H18ClF2NO and a molecular weight of 277.74 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
PubChem CID154892250
Molecular FormulaC13H18ClF2NO
Molecular Weight277.74 g/mol
Exact Mass277.10
IUPAC Name[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(Cc2ccc(F)cc2F)CCCNC1
InChIInChI=1S/C13H17F2NO.ClH/c14-11-3-2-10(12(15)6-11)7-13(9-17)4-1-5-16-8-13;/h2-3,6,16-17H,1,4-5,7-9H2;1H
InChIKeyMNBYMCHGAZQNEY-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
3-[(2,4-difluorophenyl)methyl]-3-propylazetidine
CID 79451436
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 95207559
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
CID 66060227
[3-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 114934841
3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
CID 65145893
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride?
The IUPAC name of [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride (CID 154892250) is [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride is Cl.OCC1(Cc2ccc(F)cc2F)CCCNC1.
What is the InChIKey of [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride?
The InChIKey is MNBYMCHGAZQNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO.ClH/c14-11-3-2-10(12(15)6-11)7-13(9-17)4-1-5-16-8-13;/h2-3,6,16-17H,1,4-5,7-9H2;1H.
What are the key properties of [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride?
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride has a molecular weight of 277.74 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 154892250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).