1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol

C25H44N2O3 — CID 110181867

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
SMILESCCCCCCCCCCCOCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H44N2O3/c1-3-4-5-6-7-8-9-10-13-20-30-22-23(28)21-26-16-18-27(19-17-26)24-14-11-12-15-25(24)29-2/h11-12,14-15,23,28H,3-10,13,16-22H2,1-2H3
InChIKeyMETVIVHCCFJPIH-UHFFFAOYSA-N
MW420.64 g/mol
LogP4.73
Rot. Bonds16

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol (PubChem CID 110181867) has the molecular formula C25H44N2O3 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
PubChem CID110181867
Molecular FormulaC25H44N2O3
Molecular Weight420.64 g/mol
Exact Mass420.34
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
SMILESCCCCCCCCCCCOCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H44N2O3/c1-3-4-5-6-7-8-9-10-13-20-30-22-23(28)21-26-16-18-27(19-17-26)24-14-11-12-15-25(24)29-2/h11-12,14-15,23,28H,3-10,13,16-22H2,1-2H3
InChIKeyMETVIVHCCFJPIH-UHFFFAOYSA-N
XLogP4.73
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]octan-2-ol
CID 110181232
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 30930100
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
1-[2-(4-bromophenoxy)ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 15945593
(2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 27532210
1-[2-(1-adamantyl)ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2856044
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
(2R)-1-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98734901
(2S)-1-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98734900
(2S)-1-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 98184980
N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide
CID 54131410
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol dichloride
CID 21237473

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol (CID 110181867) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol is CCCCCCCCCCCOCC(O)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol?
The InChIKey is METVIVHCCFJPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O3/c1-3-4-5-6-7-8-9-10-13-20-30-22-23(28)21-26-16-18-27(19-17-26)24-14-11-12-15-25(24)29-2/h11-12,14-15,23,28H,3-10,13,16-22H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol has a molecular weight of 420.64 g/mol, XLogP of 4.73, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol is sourced from PubChem (CID 110181867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).