N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine

C12H22N4 — CID 115762067

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
SMILESCCn1nccc1CNC1CCCN(C)C1
InChIInChI=1S/C12H22N4/c1-3-16-12(6-7-14-16)9-13-11-5-4-8-15(2)10-11/h6-7,11,13H,3-5,8-10H2,1-2H3
InChIKeyPUTCGIRWQGDIDV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.09
Rot. Bonds4

About N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine

N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine (PubChem CID 115762067) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
PubChem CID115762067
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
SMILESCCn1nccc1CNC1CCCN(C)C1
InChIInChI=1S/C12H22N4/c1-3-16-12(6-7-14-16)9-13-11-5-4-8-15(2)10-11/h6-7,11,13H,3-5,8-10H2,1-2H3
InChIKeyPUTCGIRWQGDIDV-UHFFFAOYSA-N
XLogP1.09
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine (CID 115762067) is N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine is CCn1nccc1CNC1CCCN(C)C1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is PUTCGIRWQGDIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-12(6-7-14-16)9-13-11-5-4-8-15(2)10-11/h6-7,11,13H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 115762067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).