tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate

C15H29NO4 — CID 170993452

IUPACtert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
SMILESCCOC(OCC)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO4/c1-6-18-13(19-7-2)12-8-10-16(11-9-12)14(17)20-15(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyKTNPMIYMTDIKET-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.03
Rot. Bonds5

About tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate

tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate (PubChem CID 170993452) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
PubChem CID170993452
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
SMILESCCOC(OCC)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29NO4/c1-6-18-13(19-7-2)12-8-10-16(11-9-12)14(17)20-15(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyKTNPMIYMTDIKET-UHFFFAOYSA-N
XLogP3.03
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 177337295
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-(2-ethoxy-1-iodo-2-oxoethyl)piperidine-1-carboxylate
CID 45357856
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate (CID 170993452) is tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate is CCOC(OCC)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate?
The InChIKey is KTNPMIYMTDIKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-6-18-13(19-7-2)12-8-10-16(11-9-12)14(17)20-15(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate?
tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 170993452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).