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

C14H21BrN2O — CID 62617616

IUPAC1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CCC(O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H21BrN2O/c1-16-8-10-17(11-9-16)7-6-14(18)12-2-4-13(15)5-3-12/h2-5,14,18H,6-11H2,1H3
InChIKeyTUGWQWPWICJIBY-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.12
Rot. Bonds4

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

1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol (PubChem CID 62617616) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
PubChem CID62617616
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
SMILESCN1CCN(CCC(O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H21BrN2O/c1-16-8-10-17(11-9-16)7-6-14(18)12-2-4-13(15)5-3-12/h2-5,14,18H,6-11H2,1H3
InChIKeyTUGWQWPWICJIBY-UHFFFAOYSA-N
XLogP2.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63211396
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 62644931
1-(4-bromophenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 62617437
6-[1-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751625
(4-bromophenyl)-(1-methylpiperidin-4-yl)methanol
CID 58042206

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol (CID 62617616) is 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol is CN1CCN(CCC(O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
The InChIKey is TUGWQWPWICJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-16-8-10-17(11-9-16)7-6-14(18)12-2-4-13(15)5-3-12/h2-5,14,18H,6-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol?
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol has a molecular weight of 313.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 62617616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).