[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol

C13H17BrFNO — CID 60644953

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C13H17BrFNO/c14-12-4-3-11(13(15)6-12)8-16-5-1-2-10(7-16)9-17/h3-4,6,10,17H,1-2,5,7-9H2
InChIKeySAUWGQCHUIDXDM-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.79
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol

[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 60644953) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID60644953
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESOCC1CCCN(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C13H17BrFNO/c14-12-4-3-11(13(15)6-12)8-16-5-1-2-10(7-16)9-17/h3-4,6,10,17H,1-2,5,7-9H2
InChIKeySAUWGQCHUIDXDM-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 55183140
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915607
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
N-[[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592901
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 60584720
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 106268333
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 60644953) is [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol is OCC1CCCN(Cc2ccc(Br)cc2F)C1.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is SAUWGQCHUIDXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-12-4-3-11(13(15)6-12)8-16-5-1-2-10(7-16)9-17/h3-4,6,10,17H,1-2,5,7-9H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 302.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 60644953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).