(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine

C14H26N2O — CID 116780159

IUPAC(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCCC1)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H26N2O/c1-12-6-8-14(17-2,9-7-12)13(15)16-10-4-3-5-11-16/h12,15H,3-11H2,1-2H3/b15-13-
InChIKeyUHNAQFBZEREUIM-SQFISAMPSA-N
MW238.37 g/mol
LogP3.04
Rot. Bonds2

About (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine

(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine (PubChem CID 116780159) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine
PubChem CID116780159
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCCC1)C1(OC)CCC(C)CC1
InChIInChI=1S/C14H26N2O/c1-12-6-8-14(17-2,9-7-12)13(15)16-10-4-3-5-11-16/h12,15H,3-11H2,1-2H3/b15-13-
InChIKeyUHNAQFBZEREUIM-SQFISAMPSA-N
XLogP3.04
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine?
The IUPAC name of (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine (CID 116780159) is (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine.
What is the SMILES notation for (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine?
The canonical SMILES for (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine is [H]/N=C(\N1CCCCC1)C1(OC)CCC(C)CC1.
What is the InChIKey of (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine?
The InChIKey is UHNAQFBZEREUIM-SQFISAMPSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-6-8-14(17-2,9-7-12)13(15)16-10-4-3-5-11-16/h12,15H,3-11H2,1-2H3/b15-13-.
What are the key properties of (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine?
(1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine has a molecular weight of 238.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4-methylcyclohexyl)-piperidin-1-ylmethanimine is sourced from PubChem (CID 116780159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).