2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone

C15H28N2O2 — CID 104677563

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-13-5-9-17(10-6-13)14(18)11-15(12-16)7-3-2-4-8-15/h13H,2-12,16H2,1H3
InChIKeyPBKHPKWMTSZGQT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 104677563) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID104677563
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CC2(CN)CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-13-5-9-17(10-6-13)14(18)11-15(12-16)7-3-2-4-8-15/h13H,2-12,16H2,1H3
InChIKeyPBKHPKWMTSZGQT-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
2-(1-aminocyclopentyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 64683977
2-[1-(aminomethyl)cyclohexyl]-1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 103533215
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
CID 81169643
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 113440211
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 81172632
methyl N-[1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidin-3-yl]carbamate
CID 104678633
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
2-[1-(aminomethyl)cyclohexyl]-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 104678657
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
CID 81172458
2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
CID 104678660

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone (CID 104677563) is 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(C(=O)CC2(CN)CCCCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is PBKHPKWMTSZGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-13-5-9-17(10-6-13)14(18)11-15(12-16)7-3-2-4-8-15/h13H,2-12,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 104677563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).