methyl 3-phenoxypiperidine-1-carboxylate

C13H17NO3 — CID 110605413

IUPACmethyl 3-phenoxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C13H17NO3/c1-16-13(15)14-9-5-8-12(10-14)17-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyONOZPQJDOKDDBD-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.30
Rot. Bonds2

About methyl 3-phenoxypiperidine-1-carboxylate

methyl 3-phenoxypiperidine-1-carboxylate (PubChem CID 110605413) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 3-phenoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenoxypiperidine-1-carboxylate
PubChem CID110605413
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 3-phenoxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(Oc2ccccc2)C1
InChIInChI=1S/C13H17NO3/c1-16-13(15)14-9-5-8-12(10-14)17-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyONOZPQJDOKDDBD-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478
tert-butyl (3R)-3-[4-[(Z)-2-phenylethenyl]phenoxy]piperidine-1-carboxylate
CID 99902919
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
CID 110614924
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
furan-2-yl-(3-phenoxypiperidin-1-yl)methanone
CID 110605371
(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
CID 166232036
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
tert-butyl 3-(3-iodophenoxy)piperidine-1-carboxylate
CID 67203985

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenoxypiperidine-1-carboxylate?
The IUPAC name of methyl 3-phenoxypiperidine-1-carboxylate (CID 110605413) is methyl 3-phenoxypiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-phenoxypiperidine-1-carboxylate?
The canonical SMILES for methyl 3-phenoxypiperidine-1-carboxylate is COC(=O)N1CCCC(Oc2ccccc2)C1.
What is the InChIKey of methyl 3-phenoxypiperidine-1-carboxylate?
The InChIKey is ONOZPQJDOKDDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13(15)14-9-5-8-12(10-14)17-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3.
What are the key properties of methyl 3-phenoxypiperidine-1-carboxylate?
methyl 3-phenoxypiperidine-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenoxypiperidine-1-carboxylate is sourced from PubChem (CID 110605413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).