4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride

C9H17Cl2N3 — CID 54759129

IUPAC4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C9H15N3.2ClH/c1-4-11-12(7-1)8-9-2-5-10-6-3-9;;/h1,4,7,9-10H,2-3,5-6,8H2;2*1H
InChIKeyAKVUEHPEOMOCED-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.73
Rot. Bonds2

About 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride

4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride (PubChem CID 54759129) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride
PubChem CID54759129
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride
SMILESCl.Cl.c1cnn(CC2CCNCC2)c1
InChIInChI=1S/C9H15N3.2ClH/c1-4-11-12(7-1)8-9-2-5-10-6-3-9;;/h1,4,7,9-10H,2-3,5-6,8H2;2*1H
InChIKeyAKVUEHPEOMOCED-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-Pyrazol-1-yl)piperidine
CID 21193045
3-(1H-pyrazol-1-yl)piperidine
CID 47003266
4-(1H-pyrazol-1-yl)piperidine hydrochloride
CID 56766486
4-(1H-pyrazol-1-ylmethyl)piperidine
CID 28063741
4-[(4-methyl-1H-pyrazol-1-yl)methyl]piperidine
CID 46318291
2-(1H-pyrazol-1-ylmethyl)piperidine
CID 54592627
N-methyl-1-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-amine
CID 50989058
4-(2-(1H-Pyrazol-1-yl)ethyl)piperidine
CID 28064142
4-(1H-pyrazol-1-yl)piperidine dihydrochloride
CID 45791409
4-((1H-Pyrazol-1-YL)methyl)piperidine hydrochloride
CID 66617726
3-(1H-pyrazol-1-yl)piperidine hydrochloride
CID 122164252
4-((1H-pyrazol-1-yl)methyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 73167590

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride?
The IUPAC name of 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride (CID 54759129) is 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride is Cl.Cl.c1cnn(CC2CCNCC2)c1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride?
The InChIKey is AKVUEHPEOMOCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-4-11-12(7-1)8-9-2-5-10-6-3-9;;/h1,4,7,9-10H,2-3,5-6,8H2;2*1H.
What are the key properties of 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride?
4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)piperidine;dihydrochloride is sourced from PubChem (CID 54759129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).