1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine

C14H21N5 — CID 56780345

IUPAC1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
SMILESCn1ccnc1CN1CCCCC1Cn1cccn1
InChIInChI=1S/C14H21N5/c1-17-10-7-15-14(17)12-18-8-3-2-5-13(18)11-19-9-4-6-16-19/h4,6-7,9-10,13H,2-3,5,8,11-12H2,1H3
InChIKeyCQLPAAOMUGQPSO-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.67
Rot. Bonds4

About 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine

1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine (PubChem CID 56780345) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
PubChem CID56780345
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
SMILESCn1ccnc1CN1CCCCC1Cn1cccn1
InChIInChI=1S/C14H21N5/c1-17-10-7-15-14(17)12-18-8-3-2-5-13(18)11-19-9-4-6-16-19/h4,6-7,9-10,13H,2-3,5,8,11-12H2,1H3
InChIKeyCQLPAAOMUGQPSO-UHFFFAOYSA-N
XLogP1.67
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine (CID 56780345) is 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine is Cn1ccnc1CN1CCCCC1Cn1cccn1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is CQLPAAOMUGQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-17-10-7-15-14(17)12-18-8-3-2-5-13(18)11-19-9-4-6-16-19/h4,6-7,9-10,13H,2-3,5,8,11-12H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine?
1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 259.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 56780345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).