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

C15H25N3O2 — CID 43187937

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H25N3O2/c1-16-11-14(19)12-17-6-8-18(9-7-17)13-4-3-5-15(10-13)20-2/h3-5,10,14,16,19H,6-9,11-12H2,1-2H3
InChIKeyXRXHUFHWSDYYAS-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.40
Rot. Bonds6

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

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol (PubChem CID 43187937) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
PubChem CID43187937
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C15H25N3O2/c1-16-11-14(19)12-17-6-8-18(9-7-17)13-4-3-5-15(10-13)20-2/h3-5,10,14,16,19H,6-9,11-12H2,1-2H3
InChIKeyXRXHUFHWSDYYAS-UHFFFAOYSA-N
XLogP0.40
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol with MolForge

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Related Compounds

methyl 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]benzoate
CID 25332616
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110181732
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
CID 63915152
3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95389250
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
CID 53180191
1-(4-tert-butyl-2-methylphenoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 46557624
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol (CID 43187937) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol is CNCC(O)CN1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol?
The InChIKey is XRXHUFHWSDYYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16-11-14(19)12-17-6-8-18(9-7-17)13-4-3-5-15(10-13)20-2/h3-5,10,14,16,19H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol?
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 43187937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).