cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone

C14H25NO — CID 145040393

IUPACcyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CC[C@@H](C)N(C(=O)C2CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-11-8-9-12(2)15(10-11)14(16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyKVUZDOKSJBPTNX-NWDGAFQWSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds1

About cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone

cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone (PubChem CID 145040393) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
PubChem CID145040393
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namecyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CC[C@@H](C)N(C(=O)C2CCCCC2)C1
InChIInChI=1S/C14H25NO/c1-11-8-9-12(2)15(10-11)14(16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyKVUZDOKSJBPTNX-NWDGAFQWSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550866
(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104914142
(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 104914141
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113722
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
cyclohexyl-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 897689
N-cyclobutyl-2,5-dimethylpiperidine-1-carboxamide
CID 115664848
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
tert-butyl 4-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]piperidine-1-carboxylate
CID 95776693
2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77077441

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone (CID 145040393) is cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone is C[C@H]1CC[C@@H](C)N(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is KVUZDOKSJBPTNX-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-8-9-12(2)15(10-11)14(16)13-6-4-3-5-7-13/h11-13H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone?
cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 223.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 145040393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).