1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol

C19H32N2O2 — CID 110181232

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
SMILESCCCCCCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C19H32N2O2/c1-3-4-5-6-9-17(22)16-20-12-14-21(15-13-20)18-10-7-8-11-19(18)23-2/h7-8,10-11,17,22H,3-6,9,12-16H2,1-2H3
InChIKeyJLCXHZGWRJYZOV-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.15
Rot. Bonds9

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol (PubChem CID 110181232) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
PubChem CID110181232
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
SMILESCCCCCCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C19H32N2O2/c1-3-4-5-6-9-17(22)16-20-12-14-21(15-13-20)18-10-7-8-11-19(18)23-2/h7-8,10-11,17,22H,3-6,9,12-16H2,1-2H3
InChIKeyJLCXHZGWRJYZOV-UHFFFAOYSA-N
XLogP3.15
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
CID 110181867
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873
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
N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide
CID 54131410
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
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-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3R)-3-methylpent-1-yn-3-yl]oxypropan-2-ol
CID 42589226

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol (CID 110181232) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol is CCCCCCC(O)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol?
The InChIKey is JLCXHZGWRJYZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-4-5-6-9-17(22)16-20-12-14-21(15-13-20)18-10-7-8-11-19(18)23-2/h7-8,10-11,17,22H,3-6,9,12-16H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 3.15, 9 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]octan-2-ol is sourced from PubChem (CID 110181232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).