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

C16H31ClN2O — CID 119398426

IUPACcyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CCCCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-17-12-14-8-7-11-18(13-14)16(19)15-9-5-3-2-4-6-10-15;/h14-15,17H,2-13H2,1H3;1H
InChIKeyHSZXPWASDDEQMR-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.23
Rot. Bonds3

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

cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119398426) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119398426
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Namecyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CCCCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-17-12-14-8-7-11-18(13-14)16(19)15-9-5-3-2-4-6-10-15;/h14-15,17H,2-13H2,1H3;1H
InChIKeyHSZXPWASDDEQMR-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
cyclopentyl-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
CID 119396252
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119395625
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
3-cyclohexyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397343
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119398426) is cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCCN(C(=O)C2CCCCCCC2)C1.Cl.
What is the InChIKey of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is HSZXPWASDDEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-17-12-14-8-7-11-18(13-14)16(19)15-9-5-3-2-4-6-10-15;/h14-15,17H,2-13H2,1H3;1H.
What are the key properties of cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119398426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).