1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

C15H22BrNO — CID 55099232

IUPAC1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCN(CCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO/c1-12-5-8-17(9-6-12)10-7-15(18)13-3-2-4-14(16)11-13/h2-4,11-12,15,18H,5-10H2,1H3
InChIKeyLWAZCAHFHAVXBW-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.60
Rot. Bonds4

About 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 55099232) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
PubChem CID55099232
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCN(CCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO/c1-12-5-8-17(9-6-12)10-7-15(18)13-3-2-4-14(16)11-13/h2-4,11-12,15,18H,5-10H2,1H3
InChIKeyLWAZCAHFHAVXBW-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 55099186
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-bromophenyl)propan-1-ol
CID 102728348
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (CID 55099232) is 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is CC1CCN(CCC(O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is LWAZCAHFHAVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-5-8-17(9-6-12)10-7-15(18)13-3-2-4-14(16)11-13/h2-4,11-12,15,18H,5-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 55099232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).