4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine

C15H24N2 — CID 123720024

IUPAC4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(CN2CCC(C)CC2)=CCCC1
InChIInChI=1S/C15H24N2/c1-13-8-10-17(11-9-13)12-14-4-2-3-5-15(16)7-6-14/h4,6-7,13,16H,2-3,5,8-12H2,1H3/b7-6?,14-4?,16-15+
InChIKeyVTWUNKIHWAFIPE-VDSQZBJMSA-N
MW232.37 g/mol
LogP3.40
Rot. Bonds2

About 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine

4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine (PubChem CID 123720024) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
PubChem CID123720024
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
SMILES[H]/N=C1/C=CC(CN2CCC(C)CC2)=CCCC1
InChIInChI=1S/C15H24N2/c1-13-8-10-17(11-9-13)12-14-4-2-3-5-15(16)7-6-14/h4,6-7,13,16H,2-3,5,8-12H2,1H3/b7-6?,14-4?,16-15+
InChIKeyVTWUNKIHWAFIPE-VDSQZBJMSA-N
XLogP3.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
(2Z)-2-[(4,4-difluoropiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123881999
2-(1-ethylpiperidin-4-yl)-2H-indole
CID 57002424
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
CID 123494969
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
(2Z)-2-(piperidin-1-ylmethyl)cycloocta-2,4-dien-1-imine
CID 124006917
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541
5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine
CID 142941032
N-[(Z)-2-methylidenepent-3-enyl]-1-piperidin-4-ylbut-3-en-1-imine
CID 144181867
(3Z)-3-[(E)-but-2-enylidene]piperidin-4-imine;ethane
CID 145197782
(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine
CID 166855694

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine (CID 123720024) is 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine is [H]/N=C1/C=CC(CN2CCC(C)CC2)=CCCC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
The InChIKey is VTWUNKIHWAFIPE-VDSQZBJMSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-8-10-17(11-9-13)12-14-4-2-3-5-15(16)7-6-14/h4,6-7,13,16H,2-3,5,8-12H2,1H3/b7-6?,14-4?,16-15+.
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine?
4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine has a molecular weight of 232.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine is sourced from PubChem (CID 123720024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).