1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol

C12H14BrF2NO — CID 106268702

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C12H14BrF2NO/c13-10-3-4-11(14)9(12(10)15)7-16-5-1-2-8(17)6-16/h3-4,8,17H,1-2,5-7H2
InChIKeyREMAKCRTLXSSGS-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.68
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol

1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol (PubChem CID 106268702) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
PubChem CID106268702
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C12H14BrF2NO/c13-10-3-4-11(14)9(12(10)15)7-16-5-1-2-8(17)6-16/h3-4,8,17H,1-2,5-7H2
InChIKeyREMAKCRTLXSSGS-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 106268333
1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidin-3-amine
CID 106264844
ethyl (3S)-1-[(3-bromo-2,6-difluorophenyl)methyl]piperidine-3-carboxylate
CID 106270387
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-ol
CID 62021902
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 106269061
3-[(3-bromo-2,6-difluorophenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 106269097
methyl 1-[(3-bromo-2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 106270380
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 114166432
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106274018
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-methylsulfanylpiperidine
CID 114237818

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol (CID 106268702) is 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol is OC1CCCN(Cc2c(F)ccc(Br)c2F)C1.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol?
The InChIKey is REMAKCRTLXSSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-10-3-4-11(14)9(12(10)15)7-16-5-1-2-8(17)6-16/h3-4,8,17H,1-2,5-7H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol?
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol has a molecular weight of 306.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 106268702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).