1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine

C16H26ClN3 — CID 63635128

IUPAC1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCN(C)C(C)C1)c1ccccc1Cl
InChIInChI=1S/C16H26ClN3/c1-13-12-20(11-10-19(13)3)9-8-16(18-2)14-6-4-5-7-15(14)17/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyRXTAFMDRVDBOBF-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.63
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine

1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine (PubChem CID 63635128) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
PubChem CID63635128
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCN(C)C(C)C1)c1ccccc1Cl
InChIInChI=1S/C16H26ClN3/c1-13-12-20(11-10-19(13)3)9-8-16(18-2)14-6-4-5-7-15(14)17/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyRXTAFMDRVDBOBF-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine (CID 63635128) is 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CCN(C)C(C)C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
The InChIKey is RXTAFMDRVDBOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-13-12-20(11-10-19(13)3)9-8-16(18-2)14-6-4-5-7-15(14)17/h4-7,13,16,18H,8-12H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine?
1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 63635128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).