(2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one

C14H23NO — CID 118281617

IUPAC(2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one
SMILESC[C@@H]1CC(=O)C[C@H](C)N1CC1=CCCCC1
InChIInChI=1S/C14H23NO/c1-11-8-14(16)9-12(2)15(11)10-13-6-4-3-5-7-13/h6,11-12H,3-5,7-10H2,1-2H3/t11-,12+
InChIKeyCMIXBSXJNPIQTJ-TXEJJXNPSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds2

About (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one

(2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one (PubChem CID 118281617) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one.

Molecular Properties

Compound Name(2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one
PubChem CID118281617
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one
SMILESC[C@@H]1CC(=O)C[C@H](C)N1CC1=CCCCC1
InChIInChI=1S/C14H23NO/c1-11-8-14(16)9-12(2)15(11)10-13-6-4-3-5-7-13/h6,11-12H,3-5,7-10H2,1-2H3/t11-,12+
InChIKeyCMIXBSXJNPIQTJ-TXEJJXNPSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one?
The IUPAC name of (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one (CID 118281617) is (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one.
What is the SMILES notation for (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one?
The canonical SMILES for (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one is C[C@@H]1CC(=O)C[C@H](C)N1CC1=CCCCC1.
What is the InChIKey of (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one?
The InChIKey is CMIXBSXJNPIQTJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-8-14(16)9-12(2)15(11)10-13-6-4-3-5-7-13/h6,11-12H,3-5,7-10H2,1-2H3/t11-,12+.
What are the key properties of (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one?
(2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one has a molecular weight of 221.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one is sourced from PubChem (CID 118281617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).