1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol

C17H26N2O2 — CID 3750873

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H26N2O2/c1-3-4-7-15(20)14-18-10-12-19(13-11-18)16-8-5-6-9-17(16)21-2/h3,5-6,8-9,15,20H,1,4,7,10-14H2,2H3
InChIKeyOTIASODJKGWNJT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds7

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol (PubChem CID 3750873) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
PubChem CID3750873
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H26N2O2/c1-3-4-7-15(20)14-18-10-12-19(13-11-18)16-8-5-6-9-17(16)21-2/h3,5-6,8-9,15,20H,1,4,7,10-14H2,2H3
InChIKeyOTIASODJKGWNJT-UHFFFAOYSA-N
XLogP2.14
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 5182260
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol (CID 3750873) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol is C=CCCC(O)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol?
The InChIKey is OTIASODJKGWNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-7-15(20)14-18-10-12-19(13-11-18)16-8-5-6-9-17(16)21-2/h3,5-6,8-9,15,20H,1,4,7,10-14H2,2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol has a molecular weight of 290.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 3750873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).