2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride

C13H25ClN2O — CID 165412274

IUPAC2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
SMILESCl.NC1CCC(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O.ClH/c14-12-6-4-11(5-7-12)10-13(16)15-8-2-1-3-9-15;/h11-12H,1-10,14H2;1H
InChIKeyDTZDNPMCAABABN-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.33
Rot. Bonds2

About 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride

2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 165412274) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
PubChem CID165412274
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
SMILESCl.NC1CCC(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O.ClH/c14-12-6-4-11(5-7-12)10-13(16)15-8-2-1-3-9-15;/h11-12H,1-10,14H2;1H
InChIKeyDTZDNPMCAABABN-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(4-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782565
1-piperidin-1-yl-2-(thian-4-yl)ethanone
CID 71917750
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
2-[1-[(1S,2S)-2-aminocycloheptanecarbonyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 99849854
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-(4-aminocyclohexyl)-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 62783542

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride (CID 165412274) is 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride is Cl.NC1CCC(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is DTZDNPMCAABABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c14-12-6-4-11(5-7-12)10-13(16)15-8-2-1-3-9-15;/h11-12H,1-10,14H2;1H.
What are the key properties of 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride?
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 165412274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).