[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone

C15H28N2O2 — CID 102957592

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)C2(CN)CCC(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-5-7-15(11-16,8-6-12)14(18)17-9-3-4-13(10-17)19-2/h12-13H,3-11,16H2,1-2H3
InChIKeyDZWHUOCOIFDVIL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102957592) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID102957592
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)C2(CN)CCC(C)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-12-5-7-15(11-16,8-6-12)14(18)17-9-3-4-13(10-17)19-2/h12-13H,3-11,16H2,1-2H3
InChIKeyDZWHUOCOIFDVIL-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-4-(1-ethylcyclohexanecarbonyl)morpholin-2-yl]methyl]acetamide
CID 164629930
[1-(Aminomethyl)cyclohexyl]-morpholin-4-ylmethanone
CID 60079037
[1-(Aminomethyl)cyclohexyl]-morpholin-4-ylmethanone;hydrochloride
CID 69710410
4-tert-butyl-N-methyl-N-[3-methyl-3-[(2R)-morpholin-2-yl]butyl]cyclohexane-1-carboxamide
CID 169665983
[2-(Aminomethyl)morpholin-4-yl]-cyclohexylmethanone
CID 24262571
[2-(Aminomethyl)-5,5-dimethylmorpholin-4-yl]-cyclohexylmethanone
CID 24262651
4-butyl-N-(morpholin-2-ylmethyl)cyclohexane-1-carboxamide
CID 43603024
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclohexanecarboxamide
CID 45798506
N-[(4-methylmorpholin-2-yl)methyl]cyclohexanecarboxamide
CID 49094803
[1-(Aminomethyl)cyclopentyl]-(3-ethoxypiperidin-1-yl)methanone
CID 55037906
[4-(Aminomethyl)cyclohexyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 55114982
[3-(Aminomethyl)cyclohexyl]-(2-methylmorpholin-4-yl)methanone
CID 55115029

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone (CID 102957592) is [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)C2(CN)CCC(C)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is DZWHUOCOIFDVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-5-7-15(11-16,8-6-12)14(18)17-9-3-4-13(10-17)19-2/h12-13H,3-11,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102957592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).