(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine

C13H20ClN3 — CID 79658672

IUPAC(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(C(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H20ClN3/c1-16-7-8-17(2)12(9-16)13(15)10-3-5-11(14)6-4-10/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyZCAFTLBDIGXSNM-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.59
Rot. Bonds2

About (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine

(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 79658672) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID79658672
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCN1CCN(C)C(C(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H20ClN3/c1-16-7-8-17(2)12(9-16)13(15)10-3-5-11(14)6-4-10/h3-6,12-13H,7-9,15H2,1-2H3
InChIKeyZCAFTLBDIGXSNM-UHFFFAOYSA-N
XLogP1.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethylpiperazin-2-yl)-thiophen-3-ylmethanamine
CID 79659584
[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
(2,3-dimethylimidazol-4-yl)-(1,4-dimethylpiperazin-2-yl)methanamine
CID 114283429
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
(1,4-dimethylpiperazin-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 79659157
(1,4-dimethylpiperazin-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881778
1-(4-chlorophenyl)-2-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 115415275
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
[(1,4-dimethylpiperazin-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105247203
cycloocten-1-yl-(1,4-dimethylpiperazin-2-yl)methanamine
CID 106653847
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine (CID 79658672) is (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine is CN1CCN(C)C(C(N)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is ZCAFTLBDIGXSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-16-7-8-17(2)12(9-16)13(15)10-3-5-11(14)6-4-10/h3-6,12-13H,7-9,15H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine?
(4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 253.78 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 79658672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).