1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol

C15H22BrNO — CID 62617437

IUPAC1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCCCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-12-4-2-3-10-17(12)11-9-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11H2,1H3
InChIKeyKNBPCVWMVHEVMW-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.75
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol

1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol (PubChem CID 62617437) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
PubChem CID62617437
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
SMILESCC1CCCCN1CCC(O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO/c1-12-4-2-3-10-17(12)11-9-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11H2,1H3
InChIKeyKNBPCVWMVHEVMW-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62625055
1-(4-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-ol
CID 62619008
3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073567
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
CID 82074571
1-[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]phenyl]propane-1,3-diol
CID 68750943
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
1-(4-bromo-2-chlorophenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 82780041

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol (CID 62617437) is 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol is CC1CCCCN1CCC(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is KNBPCVWMVHEVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-4-2-3-10-17(12)11-9-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol?
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 62617437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).