1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine

C12H27N3 — CID 79659112

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3/c1-5-7-13-11(6-2)12-10-14(3)8-9-15(12)4/h11-13H,5-10H2,1-4H3
InChIKeyWDNFKTDDSKRDCQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine (PubChem CID 79659112) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
PubChem CID79659112
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)C1CN(C)CCN1C
InChIInChI=1S/C12H27N3/c1-5-7-13-11(6-2)12-10-14(3)8-9-15(12)4/h11-13H,5-10H2,1-4H3
InChIKeyWDNFKTDDSKRDCQ-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
CID 79664602
N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79666373
N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 79659614
N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 79664405
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 79658692
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
CID 79659517
N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79658946
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79658440
1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine
CID 79659183
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
1-(1,4-dimethylpiperazin-2-yl)-2-methylbutan-1-amine
CID 79659340
2-cyclopentyl-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658507

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine (CID 79659112) is 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine is CCCNC(CC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine?
The InChIKey is WDNFKTDDSKRDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-7-13-11(6-2)12-10-14(3)8-9-15(12)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79659112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).