(4-phenyloxan-4-yl)-piperidin-1-ylmethanone

C17H23NO2 — CID 649168

IUPAC(4-phenyloxan-4-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO2/c19-16(18-11-5-2-6-12-18)17(9-13-20-14-10-17)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyWTCNBGCVKSTZBA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds2

About (4-phenyloxan-4-yl)-piperidin-1-ylmethanone

(4-phenyloxan-4-yl)-piperidin-1-ylmethanone (PubChem CID 649168) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)-piperidin-1-ylmethanone
PubChem CID649168
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4-phenyloxan-4-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C17H23NO2/c19-16(18-11-5-2-6-12-18)17(9-13-20-14-10-17)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
InChIKeyWTCNBGCVKSTZBA-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Meperidine
CID 4058
(1-Phenylcyclohexyl)-1-piperidinylmethanone
CID 2197578
Piperidine, 1-((1-phenylcyclopentyl)carbonyl)-
CID 778763
Pheneridine
CID 3029031
1-Morpholino-2,2-diphenylethanone
CID 229280
Ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate
CID 18956195
Ethyl 1-hexyl-4-phenylpiperidine-4-carboxylate
CID 18957815
Ethyl 1-butyl-4-phenylpiperidine-4-carboxylate
CID 23275699
Ethyl 1-heptyl-4-phenylpiperidine-4-carboxylate
CID 44325821
Ethyl 1-nonyl-4-phenylpiperidine-4-carboxylate
CID 44325839
Ethyl 1-octyl-4-phenylpiperidine-4-carboxylate
CID 44326170
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349

Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-phenyloxan-4-yl)-piperidin-1-ylmethanone (CID 649168) is (4-phenyloxan-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-phenyloxan-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-phenyloxan-4-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)-piperidin-1-ylmethanone?
The InChIKey is WTCNBGCVKSTZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(18-11-5-2-6-12-18)17(9-13-20-14-10-17)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2.
What are the key properties of (4-phenyloxan-4-yl)-piperidin-1-ylmethanone?
(4-phenyloxan-4-yl)-piperidin-1-ylmethanone has a molecular weight of 273.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 649168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).