1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine

C17H26N2 — CID 143029270

IUPAC1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine
SMILESCC(C)N1CCC(C/N=C/C2=CC=CCC=C2)CC1
InChIInChI=1S/C17H26N2/c1-15(2)19-11-9-17(10-12-19)14-18-13-16-7-5-3-4-6-8-16/h3,5-8,13,15,17H,4,9-12,14H2,1-2H3/b18-13+
InChIKeyPVCIDPZMAPEANB-QGOAFFKASA-N
MW258.41 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine

1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine (PubChem CID 143029270) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine.

Molecular Properties

Compound Name1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine
PubChem CID143029270
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine
SMILESCC(C)N1CCC(C/N=C/C2=CC=CCC=C2)CC1
InChIInChI=1S/C17H26N2/c1-15(2)19-11-9-17(10-12-19)14-18-13-16-7-5-3-4-6-8-16/h3,5-8,13,15,17H,4,9-12,14H2,1-2H3/b18-13+
InChIKeyPVCIDPZMAPEANB-QGOAFFKASA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954513
(5E)-2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954706
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
4-(1-Methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene
CID 142032557
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine
CID 142941032
(2Z)-N-methyl-2-(1-methylpiperidin-2-yl)penta-2,4-dien-1-imine
CID 143420751
(2Z)-N-methyl-2-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]penta-2,4-dien-1-imine
CID 144494837
(2Z,4E)-N-(1-methylpiperidin-4-yl)-2-propan-2-ylhexa-2,4-dien-1-imine
CID 144610727
(2Z)-N-methyl-1-(4-methylcyclohexa-2,4-dien-1-yl)-4-(piperidin-1-ylmethyl)penta-2,4-dien-1-imine
CID 166855694
(5E)-2-[1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166955028

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine?
The IUPAC name of 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine (CID 143029270) is 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine.
What is the SMILES notation for 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine?
The canonical SMILES for 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine is CC(C)N1CCC(C/N=C/C2=CC=CCC=C2)CC1.
What is the InChIKey of 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine?
The InChIKey is PVCIDPZMAPEANB-QGOAFFKASA-N. The full InChI is InChI=1S/C17H26N2/c1-15(2)19-11-9-17(10-12-19)14-18-13-16-7-5-3-4-6-8-16/h3,5-8,13,15,17H,4,9-12,14H2,1-2H3/b18-13+.
What are the key properties of 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine?
1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine has a molecular weight of 258.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine is sourced from PubChem (CID 143029270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).