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

C13H24N4 — CID 115622223

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCCn1cc(CNC2CCN(C)CC2C)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-12(8-15-17)7-14-13-5-6-16(3)9-11(13)2/h8,10-11,13-14H,4-7,9H2,1-3H3
InChIKeySVPJGYVXJIWRHV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.33
Rot. Bonds4

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

N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115622223) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115622223
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCCn1cc(CNC2CCN(C)CC2C)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-12(8-15-17)7-14-13-5-6-16(3)9-11(13)2/h8,10-11,13-14H,4-7,9H2,1-3H3
InChIKeySVPJGYVXJIWRHV-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

1-[(1-ethylpyrazol-4-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499054
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113260030
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
2-(chloromethyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365342
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
(3R,4R)-3-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-1-propan-2-ylsulfonylpiperidin-4-amine
CID 124726925
1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113237556
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
1,3-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 115615373

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine (CID 115622223) is N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine is CCn1cc(CNC2CCN(C)CC2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is SVPJGYVXJIWRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17-10-12(8-15-17)7-14-13-5-6-16(3)9-11(13)2/h8,10-11,13-14H,4-7,9H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-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 N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115622223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).