1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

C14H27N5 — CID 103011331

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-15-13(6-5-12-9-16-19(4)10-12)14-11-17(2)7-8-18(14)3/h9-10,13-15H,5-8,11H2,1-4H3
InChIKeyRQLIYGOETUJWDT-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.19
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103011331) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103011331
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-15-13(6-5-12-9-16-19(4)10-12)14-11-17(2)7-8-18(14)3/h9-10,13-15H,5-8,11H2,1-4H3
InChIKeyRQLIYGOETUJWDT-UHFFFAOYSA-N
XLogP0.19
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dimethyl-1,4-diazepan-2-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011971
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011964
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011871
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N-methyl-1-(3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009708
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030167
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029639
1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine
CID 79659183
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103011331) is 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is RQLIYGOETUJWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-15-13(6-5-12-9-16-19(4)10-12)14-11-17(2)7-8-18(14)3/h9-10,13-15H,5-8,11H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103011331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).