[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone

C14H26N2O — CID 55115030

IUPAC[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-6-8-16(9-7-11)14(17)13-4-2-12(10-15)3-5-13/h11-13H,2-10,15H2,1H3
InChIKeyPLHMINRHKPYHMA-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds2

About [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone

[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 55115030) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID55115030
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCC(CN)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-6-8-16(9-7-11)14(17)13-4-2-12(10-15)3-5-13/h11-13H,2-10,15H2,1H3
InChIKeyPLHMINRHKPYHMA-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid
CID 79519458
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
[4-(aminomethyl)cyclohexyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404369
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[4-(aminomethyl)cyclohexyl]-(3-methylthiomorpholin-4-yl)methanone
CID 79526543
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone (CID 55115030) is [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCC(CN)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PLHMINRHKPYHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-8-16(9-7-11)14(17)13-4-2-12(10-15)3-5-13/h11-13H,2-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 55115030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).