4-(4-methylphenyl)-1-oxido-3-phenylpiperidine

C18H20NO- — CID 88650309

IUPAC4-(4-methylphenyl)-1-oxido-3-phenylpiperidine
SMILESCc1ccc(C2CCN([O-])CC2c2ccccc2)cc1
InChIInChI=1S/C18H20NO/c1-14-7-9-16(10-8-14)17-11-12-19(20)13-18(17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/q-1
InChIKeyHXXQQYQFOSQBFD-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.07
Rot. Bonds2

About 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine

4-(4-methylphenyl)-1-oxido-3-phenylpiperidine (PubChem CID 88650309) has the molecular formula C18H20NO- and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-oxido-3-phenylpiperidine
PubChem CID88650309
Molecular FormulaC18H20NO-
Molecular Weight266.36 g/mol
Exact Mass266.16
IUPAC Name4-(4-methylphenyl)-1-oxido-3-phenylpiperidine
SMILESCc1ccc(C2CCN([O-])CC2c2ccccc2)cc1
InChIInChI=1S/C18H20NO/c1-14-7-9-16(10-8-14)17-11-12-19(20)13-18(17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/q-1
InChIKeyHXXQQYQFOSQBFD-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-oxido-4-phenylpiperidine-3-carboxylate
CID 87687004
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
CID 129373468
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
(3S,4R)-4-(4-methylphenyl)-3-phenylpiperidin-2-one
CID 3065195
(3R,4R)-3-(4-methylphenyl)-4-phenylpiperidin-2-one
CID 14913239
5-methyl-2-(2-methyl-3-phenylpyrrolidin-1-yl)pyrimidine
CID 133404090
1-butyl-3,4-diphenylpiperidine;hydrochloride
CID 3030420
2-(4-methylphenyl)-5-phenylthiolane
CID 58161404
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine?
The IUPAC name of 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine (CID 88650309) is 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine.
What is the SMILES notation for 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine?
The canonical SMILES for 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine is Cc1ccc(C2CCN([O-])CC2c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine?
The InChIKey is HXXQQYQFOSQBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO/c1-14-7-9-16(10-8-14)17-11-12-19(20)13-18(17)15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3/q-1.
What are the key properties of 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine?
4-(4-methylphenyl)-1-oxido-3-phenylpiperidine has a molecular weight of 266.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-oxido-3-phenylpiperidine is sourced from PubChem (CID 88650309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).