4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate

C19H20NO3- — CID 22256684

IUPAC4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate
SMILESCC1(c2ccccc2Oc2ccccc2)CCN(C(=O)[O-])CC1
InChIInChI=1S/C19H21NO3/c1-19(11-13-20(14-12-19)18(21)22)16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,22)/p-1
InChIKeyWBRUIZFYWURWPZ-UHFFFAOYSA-M
MW310.37 g/mol
LogP3.18
Rot. Bonds3

About 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate

4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate (PubChem CID 22256684) has the molecular formula C19H20NO3- and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate
PubChem CID22256684
Molecular FormulaC19H20NO3-
Molecular Weight310.37 g/mol
Exact Mass310.14
IUPAC Name4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate
SMILESCC1(c2ccccc2Oc2ccccc2)CCN(C(=O)[O-])CC1
InChIInChI=1S/C19H21NO3/c1-19(11-13-20(14-12-19)18(21)22)16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,22)/p-1
InChIKeyWBRUIZFYWURWPZ-UHFFFAOYSA-M
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-hydroxy-4-[2-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 69152676
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
CID 91784088
phenyl 4-methyl-4-(methylamino)piperidine-1-carboxylate
CID 113282998
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
CID 70716556
4-(2-phenoxyphenyl)piperazine-1-carboxylic acid
CID 69365600
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813
1-acetyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 11711856
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
2-(4-phenoxyphenoxy)benzoate
CID 6946814
(E)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)but-2-en-1-one
CID 174192675

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate (CID 22256684) is 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate is CC1(c2ccccc2Oc2ccccc2)CCN(C(=O)[O-])CC1.
What is the InChIKey of 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate?
The InChIKey is WBRUIZFYWURWPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21NO3/c1-19(11-13-20(14-12-19)18(21)22)16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,22)/p-1.
What are the key properties of 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate?
4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-phenoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 22256684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).