[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol

C16H25BrN2O — CID 62617417

IUPAC[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
SMILESCNC(CCN1CCCCC1CO)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-2-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyFJZJKLFCQZMSPG-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.95
Rot. Bonds6

About [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol

[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol (PubChem CID 62617417) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
PubChem CID62617417
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
SMILESCNC(CCN1CCCCC1CO)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-2-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3
InChIKeyFJZJKLFCQZMSPG-UHFFFAOYSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62642989
[1-[3-(2-chlorophenyl)-3-(methylamino)propyl]azepan-2-yl]methanol
CID 116638092
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
CID 62618435
[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62645062
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
1-(2-bromophenyl)-3-(2-ethylazepan-1-yl)-N-methylpropan-1-amine
CID 104691933
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol (CID 62617417) is [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol is CNC(CCN1CCCCC1CO)c1ccc(Br)cc1.
What is the InChIKey of [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
The InChIKey is FJZJKLFCQZMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-18-16(13-5-7-14(17)8-6-13)9-11-19-10-3-2-4-15(19)12-20/h5-8,15-16,18,20H,2-4,9-12H2,1H3.
What are the key properties of [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol?
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol has a molecular weight of 341.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 62617417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).