cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine

C14H26N2O — CID 63177785

IUPACcyclohexyl-(3-ethoxypiperidin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCCC(OCC)C1
InChIInChI=1S/C14H26N2O/c1-2-17-13-9-6-10-16(11-13)14(15)12-7-4-3-5-8-12/h12-13,15H,2-11H2,1H3/b15-14+
InChIKeyDXMWLXPYFKNCLS-CCEZHUSRSA-N
MW238.37 g/mol
LogP3.04
Rot. Bonds3

About cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine

cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine (PubChem CID 63177785) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclohexyl-(3-ethoxypiperidin-1-yl)methanimine
PubChem CID63177785
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Namecyclohexyl-(3-ethoxypiperidin-1-yl)methanimine
SMILES[H]/N=C(\C1CCCCC1)N1CCCC(OCC)C1
InChIInChI=1S/C14H26N2O/c1-2-17-13-9-6-10-16(11-13)14(15)12-7-4-3-5-8-12/h12-13,15H,2-11H2,1H3/b15-14+
InChIKeyDXMWLXPYFKNCLS-CCEZHUSRSA-N
XLogP3.04
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
cyclobutyl(piperidin-1-yl)methanimine
CID 64985801
1-(3-ethoxypiperidin-1-yl)prop-2-yn-1-one
CID 130611611
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808
cyclopentyl-(4-methylazepan-1-yl)methanimine
CID 63625841
cyclohexyl-(4,4-dimethylazepan-1-yl)methanimine
CID 65286944
1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
cyclopropyl-(2-ethyl-1,4-oxazepan-4-yl)methanimine
CID 130485538
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
3-(3-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760
ethoxycyclooctane
CID 13427982
1-(3-ethoxypiperidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80588872

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine?
The IUPAC name of cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine (CID 63177785) is cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine.
What is the SMILES notation for cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine?
The canonical SMILES for cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine is [H]/N=C(\C1CCCCC1)N1CCCC(OCC)C1.
What is the InChIKey of cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine?
The InChIKey is DXMWLXPYFKNCLS-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-17-13-9-6-10-16(11-13)14(15)12-7-4-3-5-8-12/h12-13,15H,2-11H2,1H3/b15-14+.
What are the key properties of cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine?
cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine has a molecular weight of 238.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-ethoxypiperidin-1-yl)methanimine is sourced from PubChem (CID 63177785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).