(2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone

C14H25NO — CID 3049059

IUPAC(2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCCCC2C)C1
InChIInChI=1S/C14H25NO/c1-11-6-5-9-15(10-11)14(16)13-8-4-3-7-12(13)2/h11-13H,3-10H2,1-2H3
InChIKeyLULKBXUJBLLKES-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.07
Rot. Bonds1

About (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone

(2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 3049059) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID3049059
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCCCC2C)C1
InChIInChI=1S/C14H25NO/c1-11-6-5-9-15(10-11)14(16)13-8-4-3-7-12(13)2/h11-13H,3-10H2,1-2H3
InChIKeyLULKBXUJBLLKES-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone (CID 3049059) is (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCCCC2C)C1.
What is the InChIKey of (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LULKBXUJBLLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-6-5-9-15(10-11)14(16)13-8-4-3-7-12(13)2/h11-13H,3-10H2,1-2H3.
What are the key properties of (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone?
(2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 223.36 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3049059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).