1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine

C15H19N3 — CID 39817855

IUPAC1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine
SMILESc1cc(-c2cn[nH]c2)ccc1CN1CCCCC1
InChIInChI=1S/C15H19N3/c1-2-8-18(9-3-1)12-13-4-6-14(7-5-13)15-10-16-17-11-15/h4-7,10-11H,1-3,8-9,12H2,(H,16,17)
InChIKeySBHGHZMCWVKCNH-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.06
Rot. Bonds3

About 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine

1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine (PubChem CID 39817855) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine
PubChem CID39817855
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine
SMILESc1cc(-c2cn[nH]c2)ccc1CN1CCCCC1
InChIInChI=1S/C15H19N3/c1-2-8-18(9-3-1)12-13-4-6-14(7-5-13)15-10-16-17-11-15/h4-7,10-11H,1-3,8-9,12H2,(H,16,17)
InChIKeySBHGHZMCWVKCNH-UHFFFAOYSA-N
XLogP3.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine?
The IUPAC name of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine (CID 39817855) is 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine?
The canonical SMILES for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine is c1cc(-c2cn[nH]c2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine?
The InChIKey is SBHGHZMCWVKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-8-18(9-3-1)12-13-4-6-14(7-5-13)15-10-16-17-11-15/h4-7,10-11H,1-3,8-9,12H2,(H,16,17).
What are the key properties of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine?
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine has a molecular weight of 241.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 39817855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).