1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol

C17H27BrN2O — CID 62630911

IUPAC1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
SMILESCCCNC(CCN1CCC(O)CC1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-2-10-19-17(15-5-3-4-6-16(15)18)9-13-20-11-7-14(21)8-12-20/h3-6,14,17,19,21H,2,7-13H2,1H3
InChIKeyXMHPNFOCZOMHFO-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.34
Rot. Bonds7

About 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol

1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol (PubChem CID 62630911) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
PubChem CID62630911
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
SMILESCCCNC(CCN1CCC(O)CC1)c1ccccc1Br
InChIInChI=1S/C17H27BrN2O/c1-2-10-19-17(15-5-3-4-6-16(15)18)9-13-20-11-7-14(21)8-12-20/h3-6,14,17,19,21H,2,7-13H2,1H3
InChIKeyXMHPNFOCZOMHFO-UHFFFAOYSA-N
XLogP3.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62612332
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
1-(2-bromophenyl)-3-(2,6-dimethylmorpholin-4-yl)-N-ethylpropan-1-amine
CID 62630064
1-(2-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62629267
1-(2-bromophenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 55093898
3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine
CID 62643827
1-(2-bromophenyl)-3-(3-ethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62629250
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol (CID 62630911) is 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol is CCCNC(CCN1CCC(O)CC1)c1ccccc1Br.
What is the InChIKey of 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
The InChIKey is XMHPNFOCZOMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-2-10-19-17(15-5-3-4-6-16(15)18)9-13-20-11-7-14(21)8-12-20/h3-6,14,17,19,21H,2,7-13H2,1H3.
What are the key properties of 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol?
1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol has a molecular weight of 355.32 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 62630911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).