tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate

C18H27NO3 — CID 19796267

IUPACtert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
SMILESCc1ccc(COC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H27NO3/c1-14-5-7-15(8-6-14)13-21-16-9-11-19(12-10-16)17(20)22-18(2,3)4/h5-8,16H,9-13H2,1-4H3
InChIKeyNCXASBXSGHSDPA-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate

tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate (PubChem CID 19796267) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
PubChem CID19796267
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
SMILESCc1ccc(COC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H27NO3/c1-14-5-7-15(8-6-14)13-21-16-9-11-19(12-10-16)17(20)22-18(2,3)4/h5-8,16H,9-13H2,1-4H3
InChIKeyNCXASBXSGHSDPA-UHFFFAOYSA-N
XLogP3.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methoxy]piperidine-1-carboxylate
CID 59504710
tert-butyl 3-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 68530859
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
CID 141417890
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
tert-butyl 3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylate;propane
CID 166100670
tert-butyl 3-[(4-nitrophenyl)methoxy]pyrrolidine-1-carboxylate
CID 67240772
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108899188
tert-butyl (5S)-5-[(4-methoxyphenyl)methoxy]-3-oxoazepane-1-carboxylate
CID 129411083
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
tert-butyl 4-methyl-4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 103915896
dimethyl 3-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389982

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate (CID 19796267) is tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate is Cc1ccc(COC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
The InChIKey is NCXASBXSGHSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-5-7-15(8-6-14)13-21-16-9-11-19(12-10-16)17(20)22-18(2,3)4/h5-8,16H,9-13H2,1-4H3.
What are the key properties of tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 19796267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).