4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine

C18H33N3 — CID 162259025

IUPAC4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNC=C1.CC1=CCNCC1.CC1CCNCC1
InChIInChI=1S/C6H13N.C6H11N.C6H9N/c3*1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3;2,7H,3-5H2,1H3;2-4,7H,5H2,1H3
InChIKeyZYZFENOUEVRCIT-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.98
Rot. Bonds

About 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine

4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 162259025) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID162259025
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine
SMILESCC1=CCNC=C1.CC1=CCNCC1.CC1CCNCC1
InChIInChI=1S/C6H13N.C6H11N.C6H9N/c3*1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3;2,7H,3-5H2,1H3;2-4,7H,5H2,1H3
InChIKeyZYZFENOUEVRCIT-UHFFFAOYSA-N
XLogP2.98
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
6-[3-(methylamino)cyclohexa-2,4-dien-1-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903863
6-[4-(methylamino)cyclohexa-2,4-dien-1-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903870
7-(1-Methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),5,10,12,14-hexaene
CID 88614597
6-[1-(2-methylpropylamino)propan-2-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 88905590
N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085318
(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine
CID 89085359
6-[3-(methylaminomethyl)cyclohexa-2,4-dien-1-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 89738501
6-Methyl-3-piperidin-4-yl-1,2-dihydropyridine
CID 118423115
1-[[4-(3-Methyl-1,2-dihydropyridin-5-yl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 118548905
3-Methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine
CID 118548942

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine (CID 162259025) is 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine is CC1=CCNC=C1.CC1=CCNCC1.CC1CCNCC1.
What is the InChIKey of 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is ZYZFENOUEVRCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H11N.C6H9N/c3*1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3;2,7H,3-5H2,1H3;2-4,7H,5H2,1H3.
What are the key properties of 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine?
4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 291.48 g/mol, XLogP of 2.98, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dihydropyridine;4-methylpiperidine;4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 162259025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).