[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate

C15H20ClNO3 — CID 10827897

IUPAC[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1(c2cccc(Cl)c2)CCN(C)CC1
InChIInChI=1S/C15H20ClNO3/c1-3-19-14(18)20-15(7-9-17(2)10-8-15)12-5-4-6-13(16)11-12/h4-6,11H,3,7-10H2,1-2H3
InChIKeyQQWYPWQRDLXGSO-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.43
Rot. Bonds3

About [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate

[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate (PubChem CID 10827897) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate
PubChem CID10827897
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1(c2cccc(Cl)c2)CCN(C)CC1
InChIInChI=1S/C15H20ClNO3/c1-3-19-14(18)20-15(7-9-17(2)10-8-15)12-5-4-6-13(16)11-12/h4-6,11H,3,7-10H2,1-2H3
InChIKeyQQWYPWQRDLXGSO-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate
CID 12719751
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
CID 141095818
[2-[3-(3-chlorophenyl)propyl]oxiran-2-yl] ethyl carbonate
CID 88741415
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163743
ethyl 2-[(3-chlorophenyl)sulfonylamino]-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate
CID 25027750
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
(2-amino-2-oxoethyl) 1-(3-chlorophenyl)cyclopropane-1-carboxylate
CID 51088811
ethyl (4S,5S)-4-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 29160040
ethyl 4-(3-chlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798803

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate?
The IUPAC name of [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate (CID 10827897) is [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate.
What is the SMILES notation for [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate?
The canonical SMILES for [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate is CCOC(=O)OC1(c2cccc(Cl)c2)CCN(C)CC1.
What is the InChIKey of [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate?
The InChIKey is QQWYPWQRDLXGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-3-19-14(18)20-15(7-9-17(2)10-8-15)12-5-4-6-13(16)11-12/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate?
[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate has a molecular weight of 297.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate is sourced from PubChem (CID 10827897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).