tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate

C19H34N2O4 — CID 114280711

IUPACtert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CN)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C19H34N2O4/c1-17(2,3)25-16(22)21-8-4-6-18(12-20,13-21)15-5-9-24-19(11-15)7-10-23-14-19/h15H,4-14,20H2,1-3H3
InChIKeyUDJBQXIIHBMMAP-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate

tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate (PubChem CID 114280711) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate
PubChem CID114280711
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Nametert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CN)(C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C19H34N2O4/c1-17(2,3)25-16(22)21-8-4-6-18(12-20,13-21)15-5-9-24-19(11-15)7-10-23-14-19/h15H,4-14,20H2,1-3H3
InChIKeyUDJBQXIIHBMMAP-UHFFFAOYSA-N
XLogP2.55
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(2-aminoethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 83825953
tert-butyl (1R,6R)-6-(aminomethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 98123514
tert-butyl (3aS,6aS)-3a-(aminomethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
CID 124518933
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl (3R,5R)-3-(hydroxymethyl)-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxylate
CID 100911271
tert-butyl 7-(sulfamoylmethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
CID 165444330
tert-butyl 10-amino-7-oxa-2-azaspiro[4.5]decane-2-carboxylate
CID 82380603
6-O-tert-butyl 4a-O-ethyl (4aR,8aR)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-4a,6-dicarboxylate
CID 124556089
tert-butyl 1-(2-aminoethyl)-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 155821613
(3R,5S)-9-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-9-azaspiro[4.5]decane-3-carboxylic acid
CID 97111514
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate (CID 114280711) is tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CN)(C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate?
The InChIKey is UDJBQXIIHBMMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-17(2,3)25-16(22)21-8-4-6-18(12-20,13-21)15-5-9-24-19(11-15)7-10-23-14-19/h15H,4-14,20H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate has a molecular weight of 354.49 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-1-carboxylate is sourced from PubChem (CID 114280711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).