azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride

C13H25ClN2O — CID 119676414

IUPACazocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCCN1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O.ClH/c16-13(12-8-4-5-9-14-12)15-10-6-2-1-3-7-11-15;/h12,14H,1-11H2;1H/t12-;/m0./s1
InChIKeyCSWQLQNFGOHUKN-YDALLXLXSA-N
MW260.81 g/mol
LogP2.34
Rot. Bonds1

About azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride

azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride (PubChem CID 119676414) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Nameazocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
PubChem CID119676414
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Nameazocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
SMILESCl.O=C([C@@H]1CCCCN1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O.ClH/c16-13(12-8-4-5-9-14-12)15-10-6-2-1-3-7-11-15;/h12,14H,1-11H2;1H/t12-;/m0./s1
InChIKeyCSWQLQNFGOHUKN-YDALLXLXSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
azepan-2-yl(thiomorpholin-4-yl)methanone
CID 64563385
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
azepan-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 64571164
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
The IUPAC name of azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride (CID 119676414) is azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
The canonical SMILES for azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride is Cl.O=C([C@@H]1CCCCN1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
The InChIKey is CSWQLQNFGOHUKN-YDALLXLXSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c16-13(12-8-4-5-9-14-12)15-10-6-2-1-3-7-11-15;/h12,14H,1-11H2;1H/t12-;/m0./s1.
What are the key properties of azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride?
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119676414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).