cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C15H29ClN2O — CID 119493060

IUPACcyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCCCCCC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-16-14-10-7-11-17(12-14)15(18)13-8-5-3-2-4-6-9-13;/h13-14,16H,2-12H2,1H3;1H
InChIKeyMOARSLDQZTUKNY-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.98
Rot. Bonds2

About cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119493060) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119493060
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Namecyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)C2CCCCCCC2)C1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-16-14-10-7-11-17(12-14)15(18)13-8-5-3-2-4-6-9-13;/h13-14,16H,2-12H2,1H3;1H
InChIKeyMOARSLDQZTUKNY-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119493060) is cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)C2CCCCCCC2)C1.Cl.
What is the InChIKey of cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is MOARSLDQZTUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-16-14-10-7-11-17(12-14)15(18)13-8-5-3-2-4-6-9-13;/h13-14,16H,2-12H2,1H3;1H.
What are the key properties of cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119493060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).