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

C14H27N5 — CID 79658946

IUPACN-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-5-6-15-14(12-9-16-19(4)10-12)13-11-17(2)7-8-18(13)3/h9-10,13-15H,5-8,11H2,1-4H3
InChIKeyAGKBUBGKWYYRKF-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.71
Rot. Bonds5

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

N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 79658946) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID79658946
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-5-6-15-14(12-9-16-19(4)10-12)13-11-17(2)7-8-18(13)3/h9-10,13-15H,5-8,11H2,1-4H3
InChIKeyAGKBUBGKWYYRKF-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 114657765
1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 79658848
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 65200078
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
2,2-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497251
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79748308
N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79666373
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 79658946) is N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)C1CN(C)CCN1C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is AGKBUBGKWYYRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-5-6-15-14(12-9-16-19(4)10-12)13-11-17(2)7-8-18(13)3/h9-10,13-15H,5-8,11H2,1-4H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 79658946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).