5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine

C16H26ClN3 — CID 62424615

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
SMILESCNCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H26ClN3/c1-18-8-3-2-4-9-19-10-12-20(13-11-19)16-7-5-6-15(17)14-16/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyAJZJFRGMFOEWAX-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.85
Rot. Bonds7

About 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine (PubChem CID 62424615) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
PubChem CID62424615
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
SMILESCNCCCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H26ClN3/c1-18-8-3-2-4-9-19-10-12-20(13-11-19)16-7-5-6-15(17)14-16/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyAJZJFRGMFOEWAX-UHFFFAOYSA-N
XLogP2.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene
CID 142930555
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-N-methylcyclopent-3-ene-1-carboxamide
CID 146252570
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 12965902
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(Z)-(1-methyl-2-pyridinylidene)amino]propan-1-amine
CID 118259497
ethane;formaldehyde;N-methyl-3-[4-[4-(methylamino)butyl]piperazin-1-yl]aniline;propanal;1,4-xylene
CID 142972317
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
methyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-2-methyl-2-phenylpentanoate
CID 15515475

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine (CID 62424615) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine is CNCCCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine?
The InChIKey is AJZJFRGMFOEWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-18-8-3-2-4-9-19-10-12-20(13-11-19)16-7-5-6-15(17)14-16/h5-7,14,18H,2-4,8-13H2,1H3.
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine?
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine is sourced from PubChem (CID 62424615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).