tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate

C19H36N2O3 — CID 138050142

IUPACtert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCN(C(=O)OC(C)(C)C)CC1)NCC1(C)CCOC1
InChIInChI=1S/C19H36N2O3/c1-15(20-13-19(5)8-11-23-14-19)12-16-6-9-21(10-7-16)17(22)24-18(2,3)4/h15-16,20H,6-14H2,1-5H3
InChIKeyFZBWQZCSTHCGEV-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.43
Rot. Bonds5

About tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate (PubChem CID 138050142) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate
PubChem CID138050142
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCN(C(=O)OC(C)(C)C)CC1)NCC1(C)CCOC1
InChIInChI=1S/C19H36N2O3/c1-15(20-13-19(5)8-11-23-14-19)12-16-6-9-21(10-7-16)17(22)24-18(2,3)4/h15-16,20H,6-14H2,1-5H3
InChIKeyFZBWQZCSTHCGEV-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-methyl-2,8-diazaspiro(4.5)decane-8-carboxylate
CID 70288814
tert-Butyl (S)-3-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124603418
Tert-butyl 4-(aminomethyl)-4-(butoxymethyl)piperidine-1-carboxylate
CID 68323391
Tert-butyl 4-(butoxymethyl)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 68323392
4-[(2R)-2-amino-2-(isopropyl)-ethoxymethyl]piperidine-1-carboxylic acid tert-butyl ester
CID 69310568
tert-butyl 4-[[(2S)-2-amino-3-methylbutoxy]methyl]piperidine-1-carboxylate
CID 69310570
Tert-butyl 3-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71305740
tert-Butyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 83851338
1,1-dimethylethyl (3S)-3-[(tetrahydrofuran-3-ylmethyl)amino]piperidine-1-carboxylate
CID 86608736
tert-butyl (3S)-3-(aminomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 97111701
tert-Butyl 10-methoxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118962948
Tert-butyl 4-(methoxymethyl)-4-[[(2-methylcyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 123701442

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate (CID 138050142) is tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate is CC(CC1CCN(C(=O)OC(C)(C)C)CC1)NCC1(C)CCOC1.
What is the InChIKey of tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate?
The InChIKey is FZBWQZCSTHCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-15(20-13-19(5)8-11-23-14-19)12-16-6-9-21(10-7-16)17(22)24-18(2,3)4/h15-16,20H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate has a molecular weight of 340.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(3-methyloxolan-3-yl)methylamino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 138050142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).