8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol

C19H31BrN2O — CID 141128657

IUPAC8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol
SMILESCCCC(O)CCCC(CN1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C19H31BrN2O/c1-2-5-19(23)9-4-7-17(15-22-12-10-21-11-13-22)16-6-3-8-18(20)14-16/h3,6,8,14,17,19,21,23H,2,4-5,7,9-13,15H2,1H3
InChIKeyPGWIBBSZBPKGRA-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.77
Rot. Bonds9

About 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol

8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol (PubChem CID 141128657) has the molecular formula C19H31BrN2O and a molecular weight of 383.37 g/mol. Its IUPAC name is 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol.

Molecular Properties

Compound Name8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol
PubChem CID141128657
Molecular FormulaC19H31BrN2O
Molecular Weight383.37 g/mol
Exact Mass382.16
IUPAC Name8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol
SMILESCCCC(O)CCCC(CN1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C19H31BrN2O/c1-2-5-19(23)9-4-7-17(15-22-12-10-21-11-13-22)16-6-3-8-18(20)14-16/h3,6,8,14,17,19,21,23H,2,4-5,7,9-13,15H2,1H3
InChIKeyPGWIBBSZBPKGRA-UHFFFAOYSA-N
XLogP3.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11360223
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]oxan-4-ol
CID 11199492
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
CID 68855594
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
1-(3-bromophenyl)butan-1-ol
CID 18417756
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-piperazin-1-ylheptan-2-ol
CID 70501156
1-bromo-3-(1-bromoheptan-2-yl)benzene
CID 79433772
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol?
The IUPAC name of 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol (CID 141128657) is 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol.
What is the SMILES notation for 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol?
The canonical SMILES for 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol is CCCC(O)CCCC(CN1CCNCC1)c1cccc(Br)c1.
What is the InChIKey of 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol?
The InChIKey is PGWIBBSZBPKGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31BrN2O/c1-2-5-19(23)9-4-7-17(15-22-12-10-21-11-13-22)16-6-3-8-18(20)14-16/h3,6,8,14,17,19,21,23H,2,4-5,7,9-13,15H2,1H3.
What are the key properties of 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol?
8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol has a molecular weight of 383.37 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromophenyl)-9-piperazin-1-ylnonan-4-ol is sourced from PubChem (CID 141128657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).