[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone

C20H29NO — CID 21334076

IUPAC[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C3(C)CCCCC3)CC2)cc1
InChIInChI=1S/C20H29NO/c1-16-6-8-17(9-7-16)19(22)18-10-14-21(15-11-18)20(2)12-4-3-5-13-20/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyWBQOPNYCHALUOT-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.61
Rot. Bonds3

About [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone

[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 21334076) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID21334076
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C3(C)CCCCC3)CC2)cc1
InChIInChI=1S/C20H29NO/c1-16-6-8-17(9-7-16)19(22)18-10-14-21(15-11-18)20(2)12-4-3-5-13-20/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyWBQOPNYCHALUOT-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone (CID 21334076) is [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(C3(C)CCCCC3)CC2)cc1.
What is the InChIKey of [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is WBQOPNYCHALUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO/c1-16-6-8-17(9-7-16)19(22)18-10-14-21(15-11-18)20(2)12-4-3-5-13-20/h6-9,18H,3-5,10-15H2,1-2H3.
What are the key properties of [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone?
[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 299.46 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 21334076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).