1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one

C17H25NO2 — CID 53150597

IUPAC1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CCOCc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-17(19)18-11-8-15(9-12-18)10-13-20-14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyQVNWYWGLVMFHDB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.24
Rot. Bonds6

About 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one

1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 53150597) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one
PubChem CID53150597
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CCOCc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-2-17(19)18-11-8-15(9-12-18)10-13-20-14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyQVNWYWGLVMFHDB-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.24
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

Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
1-((Benzyloxy)carbonyl)piperidine-3-carboxylic acid
CID 234339
1-(Phenylmethoxy)-4-piperidylbut-2-yne, chloride
CID 16192747
Benzyl 4-cyanopiperidine-1-carboxylate
CID 22028286
Benzyl 4-(methoxycarbamoyl)piperidine-1-carboxylate
CID 1484895
4-[(4-Fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride
CID 45262188
1-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 10549679
benzyl 4-(aminocarbonyl)tetrahydro-1(2H)-pyridinecarboxylate
CID 2776131
Piperidine, 1-(4-(benzyloxy)-2-butynyl)-
CID 201478
Piperidine, 1-(3'-benzyloxy)propyl-2-methyl-
CID 113957
3-Piperidinecarboxylic acid, 1-methyl-, benzyl ester
CID 201117
Piperidine, 3-(diphenylmethoxymethyl)-1-methyl-, hydrochloride
CID 210231

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one (CID 53150597) is 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CCOCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is QVNWYWGLVMFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-17(19)18-11-8-15(9-12-18)10-13-20-14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3.
What are the key properties of 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one?
1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylmethoxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53150597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).