1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol

C13H16BrF2NO — CID 107140560

IUPAC1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol
SMILESOC1(C(F)(F)Br)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H16BrF2NO/c14-13(15,16)12(18)6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,18H,6-10H2
InChIKeyFKBSWIPPDUWCIS-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.00
Rot. Bonds3

About 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol

1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol (PubChem CID 107140560) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol
PubChem CID107140560
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol
SMILESOC1(C(F)(F)Br)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H16BrF2NO/c14-13(15,16)12(18)6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,18H,6-10H2
InChIKeyFKBSWIPPDUWCIS-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzylpiperidin-4-ol
CID 78461
1-Benzyl-4-hydroxypiperidine-4-carbonitrile
CID 80189
4-(Aminomethyl)-1-benzylpiperidin-4-ol
CID 10421026
1-Benzyl-3-methylpiperidin-3-ol
CID 15283107
1-Benzyl-4-hydroxypiperidine-4-carbonitrile monohydrochloride
CID 2723780
1-(4-Fluorobenzyl)piperidin-4-ol
CID 765229
1-Benzyl-4-butylpiperidin-4-ol
CID 563600
3-Bromo-8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 58134931
4,4-Difluoro-1-(phenylmethyl)-3-piperidinemethanol
CID 68290143
1-[(2,4-Difluorophenyl)methyl]piperidin-4-ol
CID 751883
1-[[3-(Trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 763220
1-(2,3-Difluorobenzyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol?
The IUPAC name of 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol (CID 107140560) is 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol.
What is the SMILES notation for 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol?
The canonical SMILES for 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol is OC1(C(F)(F)Br)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol?
The InChIKey is FKBSWIPPDUWCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c14-13(15,16)12(18)6-8-17(9-7-12)10-11-4-2-1-3-5-11/h1-5,18H,6-10H2.
What are the key properties of 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol?
1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol has a molecular weight of 320.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[bromo(difluoro)methyl]piperidin-4-ol is sourced from PubChem (CID 107140560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).