cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

C14H25NO — CID 897689

IUPACcyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-11-7-6-8-12(2)15(11)14(16)13-9-4-3-5-10-13/h11-13H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyCFSVDFDJZBYXIZ-RYUDHWBXSA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds1

About cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 897689) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID897689
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namecyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-11-7-6-8-12(2)15(11)14(16)13-9-4-3-5-10-13/h11-13H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyCFSVDFDJZBYXIZ-RYUDHWBXSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782781
(2,6-dimethylpiperidin-1-yl)-piperidin-3-ylmethanone
CID 18072139
cis-(1R,2S)-2-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124523302
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 124504890
1-[4-(2,6-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110755890
(2,6-dimethylpiperidin-1-yl)-(1-methylsulfonylpiperidin-3-yl)methanone
CID 110700207
2-(2,6-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60791393
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010
benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110678516
cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
CID 145040393
(2S,3S)-3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124723449

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (CID 897689) is cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is C[C@H]1CCC[C@H](C)N1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is CFSVDFDJZBYXIZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-7-6-8-12(2)15(11)14(16)13-9-4-3-5-10-13/h11-13H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 223.36 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 897689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).