4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine

C17H28ClN3O — CID 130431326

IUPAC4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CCCCN)CC2)c1
InChIInChI=1S/C17H28ClN3O/c1-3-14-12-15(18)17(22-2)16(13-14)21-10-8-20(9-11-21)7-5-4-6-19/h12-13H,3-11,19H2,1-2H3
InChIKeyWUMGEMKYBWLCQC-UHFFFAOYSA-N
MW325.88 g/mol
LogP2.77
Rot. Bonds7

About 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine

4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine (PubChem CID 130431326) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine
PubChem CID130431326
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CCCCN)CC2)c1
InChIInChI=1S/C17H28ClN3O/c1-3-14-12-15(18)17(22-2)16(13-14)21-10-8-20(9-11-21)7-5-4-6-19/h12-13H,3-11,19H2,1-2H3
InChIKeyWUMGEMKYBWLCQC-UHFFFAOYSA-N
XLogP2.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 169211159
1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-methylpiperazine
CID 155552695
N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
CID 165112161
1-(3-chloro-5-ethyl-2-methoxyphenyl)-4-ethylpiperazine;1-cyclohexyl-3-methylurea
CID 171492454
2-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-fluorobutyl]isoindole-1,3-dione
CID 130431320
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N-[(3R)-4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
CID 130431329
N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431295
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine (CID 130431326) is 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine is CCc1cc(Cl)c(OC)c(N2CCN(CCCCN)CC2)c1.
What is the InChIKey of 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The InChIKey is WUMGEMKYBWLCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O/c1-3-14-12-15(18)17(22-2)16(13-14)21-10-8-20(9-11-21)7-5-4-6-19/h12-13H,3-11,19H2,1-2H3.
What are the key properties of 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine?
4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine has a molecular weight of 325.88 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 130431326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).