N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine

C17H29N3O — CID 62418996

IUPACN-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCCNCCC(C)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H29N3O/c1-4-18-9-8-15(2)19-10-12-20(13-11-19)16-6-5-7-17(14-16)21-3/h5-7,14-15,18H,4,8-13H2,1-3H3
InChIKeyOCEARNYVHQZYEV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.21
Rot. Bonds7

About N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine

N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine (PubChem CID 62418996) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
PubChem CID62418996
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCCNCCC(C)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C17H29N3O/c1-4-18-9-8-15(2)19-10-12-20(13-11-19)16-6-5-7-17(14-16)21-3/h5-7,14-15,18H,4,8-13H2,1-3H3
InChIKeyOCEARNYVHQZYEV-UHFFFAOYSA-N
XLogP2.21
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpropan-1-amine
CID 62557485
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylbutan-1-amine
CID 62440068
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
(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
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
1-(3-methoxyphenyl)azepane
CID 57276431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine (CID 62418996) is N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine is CCNCCC(C)N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The InChIKey is OCEARNYVHQZYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-18-9-8-15(2)19-10-12-20(13-11-19)16-6-5-7-17(14-16)21-3/h5-7,14-15,18H,4,8-13H2,1-3H3.
What are the key properties of N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine?
N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 62418996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).