[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol

C17H25BrN2O — CID 61242440

IUPAC[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
SMILESOCc1ccc(Br)cc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H25BrN2O/c18-15-5-4-14(13-21)17(12-15)20-10-6-16(7-11-20)19-8-2-1-3-9-19/h4-5,12,16,21H,1-3,6-11,13H2
InChIKeyKGBYZFSVIYDMJJ-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.40
Rot. Bonds3

About [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol

[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol (PubChem CID 61242440) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
PubChem CID61242440
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
SMILESOCc1ccc(Br)cc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H25BrN2O/c18-15-5-4-14(13-21)17(12-15)20-10-6-16(7-11-20)19-8-2-1-3-9-19/h4-5,12,16,21H,1-3,6-11,13H2
InChIKeyKGBYZFSVIYDMJJ-UHFFFAOYSA-N
XLogP3.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
CID 43365039
[5-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanamine
CID 114889518
4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 112694656
[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
CID 62368638
[4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanol
CID 81199227
[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 62122049
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol
CID 43628365
[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 55134101
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-bromophenyl]methanamine
CID 63150594

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol (CID 61242440) is [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol is OCc1ccc(Br)cc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
The InChIKey is KGBYZFSVIYDMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c18-15-5-4-14(13-21)17(12-15)20-10-6-16(7-11-20)19-8-2-1-3-9-19/h4-5,12,16,21H,1-3,6-11,13H2.
What are the key properties of [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol has a molecular weight of 353.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 61242440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).