bis(1-methylpiperidin-4-yl) carbonate;hydrochloride

C13H25ClN2O3 — CID 175100790

IUPACbis(1-methylpiperidin-4-yl) carbonate;hydrochloride
SMILESCN1CCC(OC(=O)OC2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-14-7-3-11(4-8-14)17-13(16)18-12-5-9-15(2)10-6-12;/h11-12H,3-10H2,1-2H3;1H
InChIKeyQMCSNYIZBAOQRU-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.75
Rot. Bonds2

About bis(1-methylpiperidin-4-yl) carbonate;hydrochloride

bis(1-methylpiperidin-4-yl) carbonate;hydrochloride (PubChem CID 175100790) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is bis(1-methylpiperidin-4-yl) carbonate;hydrochloride.

Molecular Properties

Compound Namebis(1-methylpiperidin-4-yl) carbonate;hydrochloride
PubChem CID175100790
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Namebis(1-methylpiperidin-4-yl) carbonate;hydrochloride
SMILESCN1CCC(OC(=O)OC2CCN(C)CC2)CC1.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-14-7-3-11(4-8-14)17-13(16)18-12-5-9-15(2)10-6-12;/h11-12H,3-10H2,1-2H3;1H
InChIKeyQMCSNYIZBAOQRU-UHFFFAOYSA-N
XLogP1.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpiperidin-4-yl) 2-sulfanylpropanoate
CID 107018228
(1-methylpiperidin-4-yl) N-(2-chloroethyl)carbamate
CID 15229090
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
(1-methylpiperidin-4-yl) 3-fluorobenzoate;hydrochloride
CID 2942243
(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride
CID 2948697
[4-(1-methylpiperidin-4-yl)cyclohexyl] carbamate
CID 175109270
(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
CID 5112796
ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
CID 58928695
(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate
CID 66172845
(1-methylpiperidin-4-yl) 2-hydroxy-2-prop-1-ynylpent-3-ynoate
CID 3063992
(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate
CID 116682683
(1-methylpiperidin-4-yl) 1-amino-4-methylcyclohexane-1-carboxylate
CID 61283415

Frequently Asked Questions

What is the IUPAC name of bis(1-methylpiperidin-4-yl) carbonate;hydrochloride?
The IUPAC name of bis(1-methylpiperidin-4-yl) carbonate;hydrochloride (CID 175100790) is bis(1-methylpiperidin-4-yl) carbonate;hydrochloride.
What is the SMILES notation for bis(1-methylpiperidin-4-yl) carbonate;hydrochloride?
The canonical SMILES for bis(1-methylpiperidin-4-yl) carbonate;hydrochloride is CN1CCC(OC(=O)OC2CCN(C)CC2)CC1.Cl.
What is the InChIKey of bis(1-methylpiperidin-4-yl) carbonate;hydrochloride?
The InChIKey is QMCSNYIZBAOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-14-7-3-11(4-8-14)17-13(16)18-12-5-9-15(2)10-6-12;/h11-12H,3-10H2,1-2H3;1H.
What are the key properties of bis(1-methylpiperidin-4-yl) carbonate;hydrochloride?
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylpiperidin-4-yl) carbonate;hydrochloride is sourced from PubChem (CID 175100790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).