[6-(4-bromophenyl)piperidin-2-yl]methanol

C12H16BrNO — CID 117168214

IUPAC[6-(4-bromophenyl)piperidin-2-yl]methanol
SMILESOCC1CCCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C12H16BrNO/c13-10-6-4-9(5-7-10)12-3-1-2-11(8-15)14-12/h4-7,11-12,14-15H,1-3,8H2
InChIKeyNMHJSPJVOCULFK-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.62
Rot. Bonds2

About [6-(4-bromophenyl)piperidin-2-yl]methanol

[6-(4-bromophenyl)piperidin-2-yl]methanol (PubChem CID 117168214) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is [6-(4-bromophenyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[6-(4-bromophenyl)piperidin-2-yl]methanol
PubChem CID117168214
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name[6-(4-bromophenyl)piperidin-2-yl]methanol
SMILESOCC1CCCC(c2ccc(Br)cc2)N1
InChIInChI=1S/C12H16BrNO/c13-10-6-4-9(5-7-10)12-3-1-2-11(8-15)14-12/h4-7,11-12,14-15H,1-3,8H2
InChIKeyNMHJSPJVOCULFK-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,5R)-5-(4-bromophenyl)pyrrolidin-2-yl]methanol
CID 131081603
2-[(6S)-6-(4-bromophenyl)piperidin-2-yl]ethanol
CID 170224579
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
3-(4-bromophenyl)-5-(chloromethyl)pyrazolidine
CID 77099447
(1R)-2-(4-bromophenyl)cyclopentan-1-ol
CID 142068486
[(2R,6R)-6-methylpiperidin-2-yl]methanol
CID 10820546
[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol
CID 138467946
(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
CID 83918189
(2S,5S)-2-(4-bromophenyl)-5-(3-methylphenyl)pyrrolidine
CID 162419383
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
CID 71228209
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenyl)piperidin-2-yl]methanol?
The IUPAC name of [6-(4-bromophenyl)piperidin-2-yl]methanol (CID 117168214) is [6-(4-bromophenyl)piperidin-2-yl]methanol.
What is the SMILES notation for [6-(4-bromophenyl)piperidin-2-yl]methanol?
The canonical SMILES for [6-(4-bromophenyl)piperidin-2-yl]methanol is OCC1CCCC(c2ccc(Br)cc2)N1.
What is the InChIKey of [6-(4-bromophenyl)piperidin-2-yl]methanol?
The InChIKey is NMHJSPJVOCULFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-6-4-9(5-7-10)12-3-1-2-11(8-15)14-12/h4-7,11-12,14-15H,1-3,8H2.
What are the key properties of [6-(4-bromophenyl)piperidin-2-yl]methanol?
[6-(4-bromophenyl)piperidin-2-yl]methanol has a molecular weight of 270.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenyl)piperidin-2-yl]methanol is sourced from PubChem (CID 117168214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).