tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride

C14H27ClN2O4 — CID 138039684

IUPACtert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
SMILESCOC(=O)C(N)CC1CCCCN1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C14H26N2O4.ClH/c1-14(2,3)20-13(18)16-8-6-5-7-10(16)9-11(15)12(17)19-4;/h10-11H,5-9,15H2,1-4H3;1H
InChIKeyNGOGRYRBQVCXHR-UHFFFAOYSA-N
MW322.83 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride

tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 138039684) has the molecular formula C14H27ClN2O4 and a molecular weight of 322.83 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
PubChem CID138039684
Molecular FormulaC14H27ClN2O4
Molecular Weight322.83 g/mol
Exact Mass322.17
IUPAC Nametert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
SMILESCOC(=O)C(N)CC1CCCCN1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C14H26N2O4.ClH/c1-14(2,3)20-13(18)16-8-6-5-7-10(16)9-11(15)12(17)19-4;/h10-11H,5-9,15H2,1-4H3;1H
InChIKeyNGOGRYRBQVCXHR-UHFFFAOYSA-N
XLogP2.09
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride (CID 138039684) is tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride is COC(=O)C(N)CC1CCCCN1C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is NGOGRYRBQVCXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4.ClH/c1-14(2,3)20-13(18)16-8-6-5-7-10(16)9-11(15)12(17)19-4;/h10-11H,5-9,15H2,1-4H3;1H.
What are the key properties of tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 322.83 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 138039684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).