1-(1,4-dimethylpiperazin-2-yl)propan-2-amine

C9H21N3 — CID 115415048

IUPAC1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCC(N)CC1CN(C)CCN1C
InChIInChI=1S/C9H21N3/c1-8(10)6-9-7-11(2)4-5-12(9)3/h8-9H,4-7,10H2,1-3H3
InChIKeyWDWWLBUFPWFIGT-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds2

About 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine

1-(1,4-dimethylpiperazin-2-yl)propan-2-amine (PubChem CID 115415048) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
PubChem CID115415048
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
SMILESCC(N)CC1CN(C)CCN1C
InChIInChI=1S/C9H21N3/c1-8(10)6-9-7-11(2)4-5-12(9)3/h8-9H,4-7,10H2,1-3H3
InChIKeyWDWWLBUFPWFIGT-UHFFFAOYSA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-(3,5-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415017
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine
CID 115415067
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(1,4-dimethylpiperazin-2-yl)-N,3-dimethylpentan-2-amine
CID 115415365
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine (CID 115415048) is 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine is CC(N)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
The InChIKey is WDWWLBUFPWFIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-8(10)6-9-7-11(2)4-5-12(9)3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)propan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 2 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)propan-2-amine is sourced from PubChem (CID 115415048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).