tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate

C19H31N3O4 — CID 138608582

IUPACtert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCNc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(OC)OC)n1
InChIInChI=1S/C19H31N3O4/c1-19(2,3)26-18(23)22-11-9-13(10-12-22)14-7-8-15(20-4)21-16(14)17(24-5)25-6/h7-8,13,17H,9-12H2,1-6H3,(H,20,21)
InChIKeyKQSJAEVTLXNEIT-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.53
Rot. Bonds5

About tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 138608582) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
PubChem CID138608582
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Nametert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate
SMILESCNc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(OC)OC)n1
InChIInChI=1S/C19H31N3O4/c1-19(2,3)26-18(23)22-11-9-13(10-12-22)14-7-8-15(20-4)21-16(14)17(24-5)25-6/h7-8,13,17H,9-12H2,1-6H3,(H,20,21)
InChIKeyKQSJAEVTLXNEIT-UHFFFAOYSA-N
XLogP3.53
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 11279519
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate
CID 130203154
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-[2-methyl-4-(methylamino)-5-propan-2-yloxyphenyl]piperidine-1-carboxylate
CID 125396711
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate (CID 138608582) is tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate is CNc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C(OC)OC)n1.
What is the InChIKey of tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is KQSJAEVTLXNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-19(2,3)26-18(23)22-11-9-13(10-12-22)14-7-8-15(20-4)21-16(14)17(24-5)25-6/h7-8,13,17H,9-12H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 365.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(dimethoxymethyl)-6-(methylamino)-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 138608582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).