2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine

C12H20N4 — CID 107058901

IUPAC2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine
SMILESCC(=Cc1cn(C)nn1)CC1CCCCN1
InChIInChI=1S/C12H20N4/c1-10(7-11-5-3-4-6-13-11)8-12-9-16(2)15-14-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyAPWKSIZFYQWZIC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.75
Rot. Bonds3

About 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine

2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine (PubChem CID 107058901) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine
PubChem CID107058901
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine
SMILESCC(=Cc1cn(C)nn1)CC1CCCCN1
InChIInChI=1S/C12H20N4/c1-10(7-11-5-3-4-6-13-11)8-12-9-16(2)15-14-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyAPWKSIZFYQWZIC-UHFFFAOYSA-N
XLogP1.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1E,3E,6E)-3-(fluoromethyl)-6-(1-propan-2-yltriazol-4-yl)cycloocta-1,3,6-trien-1-amine
CID 173894494
1-(6-Methylheptyl)-4-(2-methylprop-1-enyl)triazole
CID 130380907
3-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]triazol-1-yl]-N-propan-2-ylpropan-1-amine
CID 170724367
2-[(1-Propan-2-yltriazol-4-yl)methylidene]piperidin-4-one
CID 175405263
1-cyclooctyl-4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]triazole
CID 175626073
4-(Cyclohexen-1-yl)-1-prop-2-enyltriazole
CID 11344491
4-[(1E)-cycloocten-1-yl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
CID 11994218
N-methyl-1-(1-{1-[(2E)-2-methyl-2-penten-1-yl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)methanamine bis(trifluoroacetate)
CID 28099296
2-(cyclohexen-1-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62755925
4-(Cyclooct-1-en-1-yl)-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-1,2,3-triazole
CID 71427543
N-methyl-1-[1-[1-(2-methylpent-2-enyl)piperidin-4-yl]triazol-4-yl]methanamine
CID 74546171
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(cyclohexen-1-yl)ethanamine
CID 103398573

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine?
The IUPAC name of 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine (CID 107058901) is 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine.
What is the SMILES notation for 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine?
The canonical SMILES for 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine is CC(=Cc1cn(C)nn1)CC1CCCCN1.
What is the InChIKey of 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine?
The InChIKey is APWKSIZFYQWZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(7-11-5-3-4-6-13-11)8-12-9-16(2)15-14-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine?
2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine has a molecular weight of 220.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(1-methyltriazol-4-yl)prop-2-enyl]piperidine is sourced from PubChem (CID 107058901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).