1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine

C12H21N3 — CID 3260653

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine
SMILESCc1n[nH]c(C)c1CCN1CCCCC1
InChIInChI=1S/C12H21N3/c1-10-12(11(2)14-13-10)6-9-15-7-4-3-5-8-15/h3-9H2,1-2H3,(H,13,14)
InChIKeyVVTKZQIXCMSBLM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine (PubChem CID 3260653) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine
PubChem CID3260653
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine
SMILESCc1n[nH]c(C)c1CCN1CCCCC1
InChIInChI=1S/C12H21N3/c1-10-12(11(2)14-13-10)6-9-15-7-4-3-5-8-15/h3-9H2,1-2H3,(H,13,14)
InChIKeyVVTKZQIXCMSBLM-UHFFFAOYSA-N
XLogP2.05
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6603359
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CID 645354
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CID 71307611
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CID 126812233
CID 126812233
CID 139060191
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CID 4589527
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CID 134222561
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CID 134224700
CID 134224700

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine (CID 3260653) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine is Cc1n[nH]c(C)c1CCN1CCCCC1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine?
The InChIKey is VVTKZQIXCMSBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-12(11(2)14-13-10)6-9-15-7-4-3-5-8-15/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 3260653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).