tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate

C21H34N2O3 — CID 125396711

IUPACtert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate
SMILESCNc1cc(C)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC(C)C
InChIInChI=1S/C21H34N2O3/c1-14(2)25-19-13-17(15(3)12-18(19)22-7)16-8-10-23(11-9-16)20(24)26-21(4,5)6/h12-14,16,22H,8-11H2,1-7H3
InChIKeyFTJZANMXDWNQLE-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.94
Rot. Bonds4

About tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate

tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate (PubChem CID 125396711) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate
PubChem CID125396711
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Nametert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate
SMILESCNc1cc(C)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC(C)C
InChIInChI=1S/C21H34N2O3/c1-14(2)25-19-13-17(15(3)12-18(19)22-7)16-8-10-23(11-9-16)20(24)26-21(4,5)6/h12-14,16,22H,8-11H2,1-7H3
InChIKeyFTJZANMXDWNQLE-UHFFFAOYSA-N
XLogP4.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-methyl-5-propan-2-yloxy-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]piperidine-1-carboxylate
CID 175021486
tert-butyl 4-(4-formamido-3-propan-2-yloxyphenyl)piperidine-1-carboxylate
CID 101043182
2-fluoro-5-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171905716
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-[4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidine-1-carboxylate
CID 88577009
tert-butyl 4-(3-amino-5-propan-2-yloxyphenyl)piperidine-1-carboxylate
CID 170459039
tert-butyl 4-(4-methoxycarbonyl-5-methyl-2-methylsulfonylphenyl)piperidine-1-carboxylate
CID 66559776
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-5-methylphenyl)piperidine-1-carboxylate
CID 166077537
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate
CID 18446887
tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
CID 138608582

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate (CID 125396711) is tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate is CNc1cc(C)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC(C)C.
What is the InChIKey of tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate?
The InChIKey is FTJZANMXDWNQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-14(2)25-19-13-17(15(3)12-18(19)22-7)16-8-10-23(11-9-16)20(24)26-21(4,5)6/h12-14,16,22H,8-11H2,1-7H3.
What are the key properties of tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate?
tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate has a molecular weight of 362.51 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate is sourced from PubChem (CID 125396711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).