[4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride

C14H20Cl2N2O3 — CID 44722313

IUPAC[4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)OC1(c2ccc(Cl)nc2)CCN(C)CC1.Cl
InChIInChI=1S/C14H19ClN2O3.ClH/c1-3-19-13(18)20-14(6-8-17(2)9-7-14)11-4-5-12(15)16-10-11;/h4-5,10H,3,6-9H2,1-2H3;1H
InChIKeyGVZRPXXWPPOJGW-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.25
Rot. Bonds3

About [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride

[4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride (PubChem CID 44722313) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name[4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride
PubChem CID44722313
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name[4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)OC1(c2ccc(Cl)nc2)CCN(C)CC1.Cl
InChIInChI=1S/C14H19ClN2O3.ClH/c1-3-19-13(18)20-14(6-8-17(2)9-7-14)11-4-5-12(15)16-10-11;/h4-5,10H,3,6-9H2,1-2H3;1H
InChIKeyGVZRPXXWPPOJGW-UHFFFAOYSA-N
XLogP3.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride?
The IUPAC name of [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride (CID 44722313) is [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride.
What is the SMILES notation for [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride?
The canonical SMILES for [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride is CCOC(=O)OC1(c2ccc(Cl)nc2)CCN(C)CC1.Cl.
What is the InChIKey of [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride?
The InChIKey is GVZRPXXWPPOJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3.ClH/c1-3-19-13(18)20-14(6-8-17(2)9-7-14)11-4-5-12(15)16-10-11;/h4-5,10H,3,6-9H2,1-2H3;1H.
What are the key properties of [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride?
[4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride has a molecular weight of 335.23 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-3-pyridinyl)-1-methylpiperidin-4-yl] ethyl carbonate;hydrochloride is sourced from PubChem (CID 44722313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).