2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine

C13H23N3 — CID 64778907

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
SMILESCCC(C)n1ccc(CC2CCCCN2)n1
InChIInChI=1S/C13H23N3/c1-3-11(2)16-9-7-13(15-16)10-12-6-4-5-8-14-12/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeySORZMKSYCRCHCJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.54
Rot. Bonds4

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine

2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine (PubChem CID 64778907) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
PubChem CID64778907
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
SMILESCCC(C)n1ccc(CC2CCCCN2)n1
InChIInChI=1S/C13H23N3/c1-3-11(2)16-9-7-13(15-16)10-12-6-4-5-8-14-12/h7,9,11-12,14H,3-6,8,10H2,1-2H3
InChIKeySORZMKSYCRCHCJ-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116582497
2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618052
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616724
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114451905
2-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008175
1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole
CID 64783273
3-[(3-bromocyclohexyl)methyl]-1-butan-2-ylpyrazole
CID 64778951
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 64778428
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114451530
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopropylazepane
CID 79118218
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
2-[(1-methylimidazol-4-yl)methyl]piperidine
CID 130509272

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine (CID 64778907) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine is CCC(C)n1ccc(CC2CCCCN2)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine?
The InChIKey is SORZMKSYCRCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(2)16-9-7-13(15-16)10-12-6-4-5-8-14-12/h7,9,11-12,14H,3-6,8,10H2,1-2H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 64778907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).