2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine

C15H22ClN3 — CID 103069182

IUPAC2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3/c1-13(11-17-2)12-18-7-9-19(10-8-18)15-5-3-14(16)4-6-15/h3-6,17H,1,7-12H2,2H3
InChIKeyLFTIDNZWSVBRBI-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.24
Rot. Bonds5

About 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine (PubChem CID 103069182) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine
PubChem CID103069182
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3/c1-13(11-17-2)12-18-7-9-19(10-8-18)15-5-3-14(16)4-6-15/h3-6,17H,1,7-12H2,2H3
InChIKeyLFTIDNZWSVBRBI-UHFFFAOYSA-N
XLogP2.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270034
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
4-[4-(4-chlorophenyl)piperazin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 66453832

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine (CID 103069182) is 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine is C=C(CNC)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine?
The InChIKey is LFTIDNZWSVBRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-13(11-17-2)12-18-7-9-19(10-8-18)15-5-3-14(16)4-6-15/h3-6,17H,1,7-12H2,2H3.
What are the key properties of 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine?
2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine has a molecular weight of 279.81 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103069182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).