2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine

C17H27N3O — CID 62557485

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-8-18-14-15(2)19-9-11-20(12-10-19)16-6-5-7-17(13-16)21-3/h4-7,13,15,18H,1,8-12,14H2,2-3H3
InChIKeyKEAZLYMDMCAYEV-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.98
Rot. Bonds7

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine (PubChem CID 62557485) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine
PubChem CID62557485
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-8-18-14-15(2)19-9-11-20(12-10-19)16-6-5-7-17(13-16)21-3/h4-7,13,15,18H,1,8-12,14H2,2-3H3
InChIKeyKEAZLYMDMCAYEV-UHFFFAOYSA-N
XLogP1.98
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62418996
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpropan-1-amine
CID 55069987
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
3-methoxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 103225441
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
1-[4-(3-methoxyphenyl)piperazin-1-yl]-4-methylpentan-2-amine
CID 43199829
1-(3-methoxyphenyl)azepane
CID 57276431
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95899369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine (CID 62557485) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine?
The InChIKey is KEAZLYMDMCAYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-8-18-14-15(2)19-9-11-20(12-10-19)16-6-5-7-17(13-16)21-3/h4-7,13,15,18H,1,8-12,14H2,2-3H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 62557485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).