[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone

C14H26N2O — CID 81468169

IUPAC[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(CN)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-2-4-13(5-3-11)14(17)16-8-6-12(10-15)7-9-16/h11-13H,2-10,15H2,1H3
InChIKeyMOSCAZCLHYVPRT-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone

[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone (PubChem CID 81468169) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
PubChem CID81468169
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(CN)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-11-2-4-13(5-3-11)14(17)16-8-6-12(10-15)7-9-16/h11-13H,2-10,15H2,1H3
InChIKeyMOSCAZCLHYVPRT-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)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 115775330
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
1-[4-[2-[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]ethoxymethyl]piperidin-1-yl]ethanone
CID 174195342
2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid
CID 79519458
1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119423719
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone (CID 81468169) is [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCC(CN)CC2)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is MOSCAZCLHYVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-2-4-13(5-3-11)14(17)16-8-6-12(10-15)7-9-16/h11-13H,2-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)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)piperidin-1-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 81468169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).