methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate

C15H21NO3 — CID 110357816

IUPACmethyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(OC)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-18-14(12-6-4-3-5-7-12)13-8-10-16(11-9-13)15(17)19-2/h3-7,13-14H,8-11H2,1-2H3
InChIKeyKBWOPIXITGGZKS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.85
Rot. Bonds3

About methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate

methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate (PubChem CID 110357816) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
PubChem CID110357816
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(OC)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-18-14(12-6-4-3-5-7-12)13-8-10-16(11-9-13)15(17)19-2/h3-7,13-14H,8-11H2,1-2H3
InChIKeyKBWOPIXITGGZKS-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110357762
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
CID 110607741
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110357823
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-(2-chlorophenyl)-4-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butane-1,4-dione
CID 110607769
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356445
methyl 4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]piperazine-1-carboxylate
CID 42842519
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate (CID 110357816) is methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(OC)c2ccccc2)CC1.
What is the InChIKey of methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate?
The InChIKey is KBWOPIXITGGZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14(12-6-4-3-5-7-12)13-8-10-16(11-9-13)15(17)19-2/h3-7,13-14H,8-11H2,1-2H3.
What are the key properties of methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate?
methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 110357816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).