tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride

C11H23ClN2O2 — CID 19369399

IUPACtert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride
SMILESCN(C(=O)OC(C)(C)C)C1CCNCC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;/h9,12H,5-8H2,1-4H3;1H
InChIKeyOLARLNOPOQQRKV-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.03
Rot. Bonds1

About tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride

tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride (PubChem CID 19369399) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride
PubChem CID19369399
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Nametert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride
SMILESCN(C(=O)OC(C)(C)C)C1CCNCC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;/h9,12H,5-8H2,1-4H3;1H
InChIKeyOLARLNOPOQQRKV-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride?
The IUPAC name of tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride (CID 19369399) is tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride?
The canonical SMILES for tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride is CN(C(=O)OC(C)(C)C)C1CCNCC1.Cl.
What is the InChIKey of tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride?
The InChIKey is OLARLNOPOQQRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;/h9,12H,5-8H2,1-4H3;1H.
What are the key properties of tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride?
tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-piperidin-4-ylcarbamate;hydrochloride is sourced from PubChem (CID 19369399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).