1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol

C15H23BrN2O — CID 55099473

IUPAC1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
SMILESCN1CCCN(CCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-7-3-8-18(11-10-17)9-6-15(19)13-4-2-5-14(16)12-13/h2,4-5,12,15,19H,3,6-11H2,1H3
InChIKeyVJGKPQKLSBVNRF-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol

1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol (PubChem CID 55099473) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
PubChem CID55099473
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
SMILESCN1CCCN(CCC(O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-7-3-8-18(11-10-17)9-6-15(19)13-4-2-5-14(16)12-13/h2,4-5,12,15,19H,3,6-11H2,1H3
InChIKeyVJGKPQKLSBVNRF-UHFFFAOYSA-N
XLogP2.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 55099186
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-(3-bromophenyl)-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 63234218
(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 95344285
1-(3-bromophenyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 62618370
1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(3-bromophenyl)butan-1-ol
CID 18417756
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-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol (CID 55099473) is 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol is CN1CCCN(CCC(O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
The InChIKey is VJGKPQKLSBVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-7-3-8-18(11-10-17)9-6-15(19)13-4-2-5-14(16)12-13/h2,4-5,12,15,19H,3,6-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol?
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol has a molecular weight of 327.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol is sourced from PubChem (CID 55099473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).