1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine

C12H21N3 — CID 110106146

IUPAC1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)CN1CCCCC1c1ccn[nH]1
InChIInChI=1S/C12H21N3/c1-10(2)9-15-8-4-3-5-12(15)11-6-7-13-14-11/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyJZRLVPUYMVIHSV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine

1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 110106146) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
PubChem CID110106146
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
SMILESCC(C)CN1CCCCC1c1ccn[nH]1
InChIInChI=1S/C12H21N3/c1-10(2)9-15-8-4-3-5-12(15)11-6-7-13-14-11/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyJZRLVPUYMVIHSV-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110255983
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
CID 125142936
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 124969207
(2R)-1-cyclopentyl-2-(1H-pyrazol-5-yl)piperidine
CID 95808772
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
(2S)-1-(2-methylphenoxy)-3-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-2-ol
CID 100718470

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine (CID 110106146) is 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine is CC(C)CN1CCCCC1c1ccn[nH]1.
What is the InChIKey of 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is JZRLVPUYMVIHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)9-15-8-4-3-5-12(15)11-6-7-13-14-11/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine?
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 110106146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).