[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol

C13H18BrNO — CID 117027951

IUPAC[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
SMILESCc1ccc(N2CCC(CO)CC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-10-2-3-12(8-13(10)14)15-6-4-11(9-16)5-7-15/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyOSPSZQJQMCBPGO-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.97
Rot. Bonds2

About [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol

[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol (PubChem CID 117027951) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
PubChem CID117027951
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol
SMILESCc1ccc(N2CCC(CO)CC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-10-2-3-12(8-13(10)14)15-6-4-11(9-16)5-7-15/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyOSPSZQJQMCBPGO-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-bromo-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114069650
1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
[1-(4-methoxy-3-methylphenyl)piperidin-4-yl]methanol
CID 126696055
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000
1-(3-bromo-4-methylphenyl)-3-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]urea
CID 78892734
[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 64865831
[1-(3-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanol
CID 104781713
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150
[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012064
2-amino-1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]ethanone
CID 82124959

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol (CID 117027951) is [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol is Cc1ccc(N2CCC(CO)CC2)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol?
The InChIKey is OSPSZQJQMCBPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-2-3-12(8-13(10)14)15-6-4-11(9-16)5-7-15/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol?
[1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol has a molecular weight of 284.20 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methylphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 117027951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).