N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine

C12H22N4 — CID 107462403

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
SMILESCCc1nn(C)cc1NC1CCCN(C)C1
InChIInChI=1S/C12H22N4/c1-4-11-12(9-16(3)14-11)13-10-6-5-7-15(2)8-10/h9-10,13H,4-8H2,1-3H3
InChIKeyCFIBACQSTVOWSA-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.49
Rot. Bonds3

About N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine

N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine (PubChem CID 107462403) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
PubChem CID107462403
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
SMILESCCc1nn(C)cc1NC1CCCN(C)C1
InChIInChI=1S/C12H22N4/c1-4-11-12(9-16(3)14-11)13-10-6-5-7-15(2)8-10/h9-10,13H,4-8H2,1-3H3
InChIKeyCFIBACQSTVOWSA-UHFFFAOYSA-N
XLogP1.49
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine (CID 107462403) is N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine is CCc1nn(C)cc1NC1CCCN(C)C1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
The InChIKey is CFIBACQSTVOWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-11-12(9-16(3)14-11)13-10-6-5-7-15(2)8-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine?
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 107462403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).