2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine

C19H28N4 — CID 166301697

IUPAC2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESCc1cc(C2CCN(CC(CN)Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C19H28N4/c1-15-11-19(22-21-15)18-7-9-23(10-8-18)14-17(13-20)12-16-5-3-2-4-6-16/h2-6,11,17-18H,7-10,12-14,20H2,1H3,(H,21,22)
InChIKeyPUOUETJUWVOSDE-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.72
Rot. Bonds6

About 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine

2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine (PubChem CID 166301697) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine
PubChem CID166301697
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESCc1cc(C2CCN(CC(CN)Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C19H28N4/c1-15-11-19(22-21-15)18-7-9-23(10-8-18)14-17(13-20)12-16-5-3-2-4-6-16/h2-6,11,17-18H,7-10,12-14,20H2,1H3,(H,21,22)
InChIKeyPUOUETJUWVOSDE-UHFFFAOYSA-N
XLogP2.72
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine (CID 166301697) is 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine is Cc1cc(C2CCN(CC(CN)Cc3ccccc3)CC2)n[nH]1.
What is the InChIKey of 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine?
The InChIKey is PUOUETJUWVOSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-15-11-19(22-21-15)18-7-9-23(10-8-18)14-17(13-20)12-16-5-3-2-4-6-16/h2-6,11,17-18H,7-10,12-14,20H2,1H3,(H,21,22).
What are the key properties of 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine?
2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine has a molecular weight of 312.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 166301697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).