4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride

C15H26ClN3O — CID 68547015

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
SMILESCOc1ccc(N2CCN(CCCCN)CC2)cc1.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-19-15-6-4-14(5-7-15)18-12-10-17(11-13-18)9-3-2-8-16;/h4-7H,2-3,8-13,16H2,1H3;1H
InChIKeyZQXCJANKGCAGHG-UHFFFAOYSA-N
MW299.85 g/mol
LogP1.98
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride

4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride (PubChem CID 68547015) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
PubChem CID68547015
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
SMILESCOc1ccc(N2CCN(CCCCN)CC2)cc1.Cl
InChIInChI=1S/C15H25N3O.ClH/c1-19-15-6-4-14(5-7-15)18-12-10-17(11-13-18)9-3-2-8-16;/h4-7H,2-3,8-13,16H2,1H3;1H
InChIKeyZQXCJANKGCAGHG-UHFFFAOYSA-N
XLogP1.98
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride 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

1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
CID 141019584
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
3-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]propan-1-amine
CID 82346723
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 106503661
3-[4-(4-ethylphenyl)piperazin-1-yl]propan-1-amine
CID 82017690

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride (CID 68547015) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride is COc1ccc(N2CCN(CCCCN)CC2)cc1.Cl.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride?
The InChIKey is ZQXCJANKGCAGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.ClH/c1-19-15-6-4-14(5-7-15)18-12-10-17(11-13-18)9-3-2-8-16;/h4-7H,2-3,8-13,16H2,1H3;1H.
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride?
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride is sourced from PubChem (CID 68547015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).