3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride

C15H23BrClNO2 — CID 126476579

IUPAC3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
SMILESCCC(O)(CCN1CCOCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H22BrNO2.ClH/c1-2-15(18,13-3-5-14(16)6-4-13)7-8-17-9-11-19-12-10-17;/h3-6,18H,2,7-12H2,1H3;1H
InChIKeyDXTAMOVGZAWKAT-UHFFFAOYSA-N
MW364.71 g/mol
LogP3.19
Rot. Bonds5

About 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride

3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride (PubChem CID 126476579) has the molecular formula C15H23BrClNO2 and a molecular weight of 364.71 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
PubChem CID126476579
Molecular FormulaC15H23BrClNO2
Molecular Weight364.71 g/mol
Exact Mass363.06
IUPAC Name3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
SMILESCCC(O)(CCN1CCOCC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H22BrNO2.ClH/c1-2-15(18,13-3-5-14(16)6-4-13)7-8-17-9-11-19-12-10-17;/h3-6,18H,2,7-12H2,1H3;1H
InChIKeyDXTAMOVGZAWKAT-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 45132676
(3R)-3-(4-chlorophenyl)-6-methyl-1-morpholin-4-ylheptan-3-ol
CID 34686638
1-(4-tert-butylphenyl)-4-morpholin-4-yl-2-phenylbutan-2-ol
CID 134093965
3-(4-ethoxyphenyl)-1-piperidin-1-ylpentan-3-ol;hydrochloride
CID 126477875
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol;hydrochloride
CID 163342753
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutan-2-ol
CID 23940284
(2S,3S)-3-(4-bromophenyl)-2-(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol
CID 28952833
(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
CID 7183676
1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
2-methyl-4-morpholin-4-ylbutan-2-ol
CID 79316740
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride (CID 126476579) is 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride is CCC(O)(CCN1CCOCC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
The InChIKey is DXTAMOVGZAWKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2.ClH/c1-2-15(18,13-3-5-14(16)6-4-13)7-8-17-9-11-19-12-10-17;/h3-6,18H,2,7-12H2,1H3;1H.
What are the key properties of 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride?
3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride has a molecular weight of 364.71 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride is sourced from PubChem (CID 126476579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).