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

C21H31NO2 — CID 53037938

IUPACcyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CCOCc2ccccc2)CC1
InChIInChI=1S/C21H31NO2/c23-21(20-9-5-2-6-10-20)22-14-11-18(12-15-22)13-16-24-17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2
InChIKeyQQXLSEJMUXNIFW-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.41
Rot. Bonds6

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

cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone (PubChem CID 53037938) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone
PubChem CID53037938
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Namecyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CCOCc2ccccc2)CC1
InChIInChI=1S/C21H31NO2/c23-21(20-9-5-2-6-10-20)22-14-11-18(12-15-22)13-16-24-17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2
InChIKeyQQXLSEJMUXNIFW-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 10549679
benzyl 4-(aminocarbonyl)tetrahydro-1(2H)-pyridinecarboxylate
CID 2776131
3-Piperidinecarboxylic acid, 1-methyl-, benzyl ester
CID 201117
N-Cbz-4-piperidineacetic acid
CID 1502086
Benzyl 4-formylpiperidine-1-carboxylate
CID 2776272
Phenyl(2-phenyl-1,3-oxazinan-3-yl)methanone
CID 653321
2-(4-Benzyloxy-cyclohexa-1,3-dienyl)-N-methyl-N-phenethyl-acetamide
CID 44356239
Benzyl 1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate
CID 44338390
4-(1-((Benzyloxy)carbonyl)piperidin-4-YL)butanoic acid
CID 15512317
Benzyl ethyl piperidine-1,3-dicarboxylate
CID 17999271
Benzyl 9-oxo-3-azaspiro(5.5)undec-7-ene-3-carboxylate
CID 23435732
1-((Phenylmethoxy)carbonyl)-3-piperidinebutanoic acid
CID 44890831

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone (CID 53037938) is cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(CCOCc2ccccc2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone?
The InChIKey is QQXLSEJMUXNIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c23-21(20-9-5-2-6-10-20)22-14-11-18(12-15-22)13-16-24-17-19-7-3-1-4-8-19/h1,3-4,7-8,18,20H,2,5-6,9-17H2.
What are the key properties of cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone?
cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone has a molecular weight of 329.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53037938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).