3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine

C22H29N3 — CID 143224794

IUPAC3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
SMILESC=CC(C)CN1C(c2ncccc2C)CCCC1c1ncccc1C
InChIInChI=1S/C22H29N3/c1-5-16(2)15-25-19(21-17(3)9-7-13-23-21)11-6-12-20(25)22-18(4)10-8-14-24-22/h5,7-10,13-14,16,19-20H,1,6,11-12,15H2,2-4H3
InChIKeyBQPXZRLLTLXPDI-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.18
Rot. Bonds5

About 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine

3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine (PubChem CID 143224794) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
PubChem CID143224794
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine
SMILESC=CC(C)CN1C(c2ncccc2C)CCCC1c1ncccc1C
InChIInChI=1S/C22H29N3/c1-5-16(2)15-25-19(21-17(3)9-7-13-23-21)11-6-12-20(25)22-18(4)10-8-14-24-22/h5,7-10,13-14,16,19-20H,1,6,11-12,15H2,2-4H3
InChIKeyBQPXZRLLTLXPDI-UHFFFAOYSA-N
XLogP5.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.50
LogP ≤ 55.18
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

3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 170281779
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
[2-[[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]methyl]phenyl]methanol
CID 67421095
N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine
CID 155453409
2-[1-(1H-imidazol-5-ylmethyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-methylpyridine
CID 67421836
N-[4-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]butyl]acetamide
CID 11303546
tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
CID 169204008
2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]-1H-benzimidazole
CID 155052477
3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide
CID 155453338
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
CID 162531759
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine (CID 143224794) is 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine is C=CC(C)CN1C(c2ncccc2C)CCCC1c1ncccc1C.
What is the InChIKey of 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?
The InChIKey is BQPXZRLLTLXPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-5-16(2)15-25-19(21-17(3)9-7-13-23-21)11-6-12-20(25)22-18(4)10-8-14-24-22/h5,7-10,13-14,16,19-20H,1,6,11-12,15H2,2-4H3.
What are the key properties of 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine?
3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine has a molecular weight of 335.50 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(2-methylbut-3-enyl)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 143224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).