1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol

C16H26N2O2 — CID 63933549

IUPAC1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-3-20-13-16(19)12-17-7-9-18(10-8-17)15-6-4-5-14(2)11-15/h4-6,11,16,19H,3,7-10,12-13H2,1-2H3
InChIKeyDZCKUTJZRJUFOD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.51
Rot. Bonds6

About 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol

1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 63933549) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID63933549
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H26N2O2/c1-3-20-13-16(19)12-17-7-9-18(10-8-17)15-6-4-5-14(2)11-15/h4-6,11,16,19H,3,7-10,12-13H2,1-2H3
InChIKeyDZCKUTJZRJUFOD-UHFFFAOYSA-N
XLogP1.51
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
CID 63618670
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
diethyl 4-[4-[2-hydroxy-3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10099681
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110181732
(2S)-1-ethoxy-3-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-ol
CID 97158574
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-ethoxypropan-2-ol
CID 3733106
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]methanone
CID 95613710

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol (CID 63933549) is 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol is CCOCC(O)CN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is DZCKUTJZRJUFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-20-13-16(19)12-17-7-9-18(10-8-17)15-6-4-5-14(2)11-15/h4-6,11,16,19H,3,7-10,12-13H2,1-2H3.
What are the key properties of 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol?
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 63933549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).