1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

C14H26N4 — CID 79707420

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)N(C)CC1CCNCC1
InChIInChI=1S/C14H26N4/c1-11-14(10-18(4)16-11)12(2)17(3)9-13-5-7-15-8-6-13/h10,12-13,15H,5-9H2,1-4H3
InChIKeyAAPZGKXXYZSQGY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.72
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79707420) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79707420
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)N(C)CC1CCNCC1
InChIInChI=1S/C14H26N4/c1-11-14(10-18(4)16-11)12(2)17(3)9-13-5-7-15-8-6-13/h10,12-13,15H,5-9H2,1-4H3
InChIKeyAAPZGKXXYZSQGY-UHFFFAOYSA-N
XLogP1.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]phenol
CID 79707959
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzene-1,3-diol
CID 79707423
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599163
N-cyclopropyl-1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 102802042
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 83089494
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
N-methyl-1-(4-methylsulfinylphenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 119932369
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
4-[1-[methyl(piperidin-4-ylmethyl)amino]ethyl]benzenesulfonamide;hydrochloride
CID 119929715
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (CID 79707420) is 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is Cc1nn(C)cc1C(C)N(C)CC1CCNCC1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is AAPZGKXXYZSQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-14(10-18(4)16-11)12(2)17(3)9-13-5-7-15-8-6-13/h10,12-13,15H,5-9H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79707420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).