1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine

C17H27N3O — CID 63915152

IUPAC1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
SMILESCNC(CN1CCN(c2cccc(OC)c2)CC1)C1CC1
InChIInChI=1S/C17H27N3O/c1-18-17(14-6-7-14)13-19-8-10-20(11-9-19)15-4-3-5-16(12-15)21-2/h3-5,12,14,17-18H,6-11,13H2,1-2H3
InChIKeyOCTITXSTUAOJQX-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.82
Rot. Bonds6

About 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine

1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine (PubChem CID 63915152) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
PubChem CID63915152
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
SMILESCNC(CN1CCN(c2cccc(OC)c2)CC1)C1CC1
InChIInChI=1S/C17H27N3O/c1-18-17(14-6-7-14)13-19-8-10-20(11-9-19)15-4-3-5-16(12-15)21-2/h3-5,12,14,17-18H,6-11,13H2,1-2H3
InChIKeyOCTITXSTUAOJQX-UHFFFAOYSA-N
XLogP1.82
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(2,5-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanol
CID 53180191
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine (CID 63915152) is 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine is CNC(CN1CCN(c2cccc(OC)c2)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine?
The InChIKey is OCTITXSTUAOJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-17(14-6-7-14)13-19-8-10-20(11-9-19)15-4-3-5-16(12-15)21-2/h3-5,12,14,17-18H,6-11,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine?
1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine has a molecular weight of 289.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine is sourced from PubChem (CID 63915152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).