[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine

C15H30N2O — CID 79527221

IUPAC[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCCOC1CCN(CC2CCC(CN)CC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-18-15-7-9-17(10-8-15)12-14-5-3-13(11-16)4-6-14/h13-15H,2-12,16H2,1H3
InChIKeyVGNBFNCHICILGG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds5

About [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine

[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine (PubChem CID 79527221) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
PubChem CID79527221
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
SMILESCCOC1CCN(CC2CCC(CN)CC2)CC1
InChIInChI=1S/C15H30N2O/c1-2-18-15-7-9-17(10-8-15)12-14-5-3-13(11-16)4-6-14/h13-15H,2-12,16H2,1H3
InChIKeyVGNBFNCHICILGG-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine
CID 55093924
[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
CID 106821889
2-[2-(4-ethoxypiperidin-1-yl)ethoxy]ethanamine
CID 79478299
ethyl 3-[[4-(aminomethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 142495401
1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79519722
4-[(4-ethoxypiperidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79934177
[4-(2-methylpropoxy)cyclohexyl]methanamine
CID 83828871
[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448905
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 53256412

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine (CID 79527221) is [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine is CCOC1CCN(CC2CCC(CN)CC2)CC1.
What is the InChIKey of [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine?
The InChIKey is VGNBFNCHICILGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-2-18-15-7-9-17(10-8-15)12-14-5-3-13(11-16)4-6-14/h13-15H,2-12,16H2,1H3.
What are the key properties of [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine?
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 79527221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).