cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone

C19H27NO2 — CID 2802380

IUPACcyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H27NO2/c1-22-18-10-6-5-9-17(18)15-11-13-20(14-12-15)19(21)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3
InChIKeyCDHKHQNGZNHTRI-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.98
Rot. Bonds3

About cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone

cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone (PubChem CID 2802380) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
PubChem CID2802380
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Namecyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H27NO2/c1-22-18-10-6-5-9-17(18)15-11-13-20(14-12-15)19(21)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3
InChIKeyCDHKHQNGZNHTRI-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone (CID 2802380) is cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone is COc1ccccc1C1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
The InChIKey is CDHKHQNGZNHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-22-18-10-6-5-9-17(18)15-11-13-20(14-12-15)19(21)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3.
What are the key properties of cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone?
cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-methoxyphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 2802380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).