tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate

C16H30N2O3 — CID 79698015

IUPACtert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2CCOC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-7-4-13(5-8-18)10-17-11-14-6-9-20-12-14/h13-14,17H,4-12H2,1-3H3
InChIKeyLXICLSDFZQEZKN-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds4

About tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate

tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate (PubChem CID 79698015) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
PubChem CID79698015
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2CCOC2)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-7-4-13(5-8-18)10-17-11-14-6-9-20-12-14/h13-14,17H,4-12H2,1-3H3
InChIKeyLXICLSDFZQEZKN-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 103896929
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79697736
tert-butyl 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402
tert-butyl (3R)-3-[(oxan-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 68999639
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate (CID 79698015) is tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNCC2CCOC2)CC1.
What is the InChIKey of tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
The InChIKey is LXICLSDFZQEZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-7-4-13(5-8-18)10-17-11-14-6-9-20-12-14/h13-14,17H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 79698015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).