1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine

C17H24N4 — CID 120834498

IUPAC1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine
SMILESCc1ccc(CN2CCC(N)CC2)c(-c2ccnn2C)c1
InChIInChI=1S/C17H24N4/c1-13-3-4-14(12-21-9-6-15(18)7-10-21)16(11-13)17-5-8-19-20(17)2/h3-5,8,11,15H,6-7,9-10,12,18H2,1-2H3
InChIKeySMQVIYPQWYPNKI-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.32
Rot. Bonds3

About 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine

1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine (PubChem CID 120834498) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine
PubChem CID120834498
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine
SMILESCc1ccc(CN2CCC(N)CC2)c(-c2ccnn2C)c1
InChIInChI=1S/C17H24N4/c1-13-3-4-14(12-21-9-6-15(18)7-10-21)16(11-13)17-5-8-19-20(17)2/h3-5,8,11,15H,6-7,9-10,12,18H2,1-2H3
InChIKeySMQVIYPQWYPNKI-UHFFFAOYSA-N
XLogP2.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine (CID 120834498) is 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine is Cc1ccc(CN2CCC(N)CC2)c(-c2ccnn2C)c1.
What is the InChIKey of 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine?
The InChIKey is SMQVIYPQWYPNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-3-4-14(12-21-9-6-15(18)7-10-21)16(11-13)17-5-8-19-20(17)2/h3-5,8,11,15H,6-7,9-10,12,18H2,1-2H3.
What are the key properties of 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine?
1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 120834498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).