4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride

C11H21Cl2N3 — CID 54592750

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride
SMILESCc1cc(C)n(CC2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-9-7-10(2)14(13-9)8-11-3-5-12-6-4-11;;/h7,11-12H,3-6,8H2,1-2H3;2*1H
InChIKeyFJPGAHNPECJAKW-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.34
Rot. Bonds2

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride

4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride (PubChem CID 54592750) has the molecular formula C11H21Cl2N3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride
PubChem CID54592750
Molecular FormulaC11H21Cl2N3
Molecular Weight266.22 g/mol
Exact Mass265.11
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride
SMILESCc1cc(C)n(CC2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-9-7-10(2)14(13-9)8-11-3-5-12-6-4-11;;/h7,11-12H,3-6,8H2,1-2H3;2*1H
InChIKeyFJPGAHNPECJAKW-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
3-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 54592912
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine
CID 54592628
2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 3160221
4-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 23014320
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine hydrochloride
CID 45157159
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
2-Methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 73012568

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride (CID 54592750) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride is Cc1cc(C)n(CC2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride?
The InChIKey is FJPGAHNPECJAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.2ClH/c1-9-7-10(2)14(13-9)8-11-3-5-12-6-4-11;;/h7,11-12H,3-6,8H2,1-2H3;2*1H.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride?
4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride has a molecular weight of 266.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine;dihydrochloride is sourced from PubChem (CID 54592750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).