1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine

C13H24N4 — CID 114499054

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
SMILESCCn1cc(CN2CCC(NC)C(C)C2)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-12(7-15-17)9-16-6-5-13(14-3)11(2)8-16/h7,10-11,13-14H,4-6,8-9H2,1-3H3
InChIKeyDWCYXBTVZDVIMG-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.33
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine

1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine (PubChem CID 114499054) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
PubChem CID114499054
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
SMILESCCn1cc(CN2CCC(NC)C(C)C2)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-12(7-15-17)9-16-6-5-13(14-3)11(2)8-16/h7,10-11,13-14H,4-6,8-9H2,1-3H3
InChIKeyDWCYXBTVZDVIMG-UHFFFAOYSA-N
XLogP1.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115622223
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652
2-[4-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 115300045
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
1-ethyl-4-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124978097
2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 62126946
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine (CID 114499054) is 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine is CCn1cc(CN2CCC(NC)C(C)C2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine?
The InChIKey is DWCYXBTVZDVIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17-10-12(7-15-17)9-16-6-5-13(14-3)11(2)8-16/h7,10-11,13-14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine?
1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114499054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).