(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine

C13H21N3 — CID 95325556

IUPAC(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
SMILESC=C(C)CN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C13H21N3/c1-12(2)10-15-8-4-3-6-13(15)11-16-9-5-7-14-16/h5,7,9,13H,1,3-4,6,8,10-11H2,2H3/t13-/m0/s1
InChIKeyTZRMIDRYQYADHW-ZDUSSCGKSA-N
MW219.33 g/mol
LogP2.31
Rot. Bonds4

About (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine

(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine (PubChem CID 95325556) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
PubChem CID95325556
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
SMILESC=C(C)CN1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C13H21N3/c1-12(2)10-15-8-4-3-6-13(15)11-16-9-5-7-14-16/h5,7,9,13H,1,3-4,6,8,10-11H2,2H3/t13-/m0/s1
InChIKeyTZRMIDRYQYADHW-ZDUSSCGKSA-N
XLogP2.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
2-methyl-5-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95609229
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95352596
[(2S)-1-ethylpiperidin-2-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603872
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95609241
(1R)-1-(3-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95343853
(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 95327720
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-(2-methylprop-2-enyl)piperidine
CID 95305553
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 129448916
5-tert-butyl-2-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
CID 95609203

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine (CID 95325556) is (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine is C=C(C)CN1CCCC[C@H]1Cn1cccn1.
What is the InChIKey of (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is TZRMIDRYQYADHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3/c1-12(2)10-15-8-4-3-6-13(15)11-16-9-5-7-14-16/h5,7,9,13H,1,3-4,6,8,10-11H2,2H3/t13-/m0/s1.
What are the key properties of (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine?
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 95325556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).