1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine

C12H22N4 — CID 61000035

IUPAC1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCc1cn[nH]c1
InChIInChI=1S/C12H22N4/c1-9-8-16(3)10(2)4-12(9)13-5-11-6-14-15-7-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyGHCXEMQIRXBZSB-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.23
Rot. Bonds3

About 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine

1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine (PubChem CID 61000035) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine
PubChem CID61000035
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NCc1cn[nH]c1
InChIInChI=1S/C12H22N4/c1-9-8-16(3)10(2)4-12(9)13-5-11-6-14-15-7-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyGHCXEMQIRXBZSB-UHFFFAOYSA-N
XLogP1.23
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine (CID 61000035) is 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine is CC1CN(C)C(C)CC1NCc1cn[nH]c1.
What is the InChIKey of 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is GHCXEMQIRXBZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-8-16(3)10(2)4-12(9)13-5-11-6-14-15-7-11/h6-7,9-10,12-13H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine?
1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(1H-pyrazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 61000035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).