tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate

C14H28N2O3 — CID 102696916

IUPACtert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
SMILESCOC(C)CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-11(18-5)10-15-12-6-8-16(9-7-12)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyOYRVGFOCEFFTMC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate

tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate (PubChem CID 102696916) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
PubChem CID102696916
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
SMILESCOC(C)CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-11(18-5)10-15-12-6-8-16(9-7-12)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3
InChIKeyOYRVGFOCEFFTMC-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidine-1-carboxylate
CID 107442932
tert-butyl 4-[1-(cyclohexylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 69113828
tert-butyl 4-[(2-cyclopentyl-2-hydroxyethyl)amino]piperidine-1-carboxylate
CID 111755633
tert-butyl 4-(2-pyrrolidin-1-ylpropylamino)azepane-1-carboxylate
CID 103982646
tert-butyl (4R)-4-[[(2R)-2-hydroxy-3,3-dimethylbutyl]amino]azepane-1-carboxylate
CID 99853636
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
CID 61044256
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
tert-butyl 4-(4-hydroxypentylamino)piperidine-1-carboxylate
CID 107267903
tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
tert-butyl 4-[(3-amino-2-hydroxy-3-oxopropyl)amino]azepane-1-carboxylate
CID 106172140
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate (CID 102696916) is tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate is COC(C)CNC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate?
The InChIKey is OYRVGFOCEFFTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(18-5)10-15-12-6-8-16(9-7-12)13(17)19-14(2,3)4/h11-12,15H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate?
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 102696916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).