[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone

C15H19Cl2NO2 — CID 106863992

IUPAC[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(OCCCl)CC2)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-11-2-3-13(14(17)10-11)15(19)18-7-4-12(5-8-18)20-9-6-16/h2-3,10,12H,4-9H2,1H3
InChIKeySPIUAPVMDRYMSC-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.51
Rot. Bonds4

About [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone

[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone (PubChem CID 106863992) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
PubChem CID106863992
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(OCCCl)CC2)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c1-11-2-3-13(14(17)10-11)15(19)18-7-4-12(5-8-18)20-9-6-16/h2-3,10,12H,4-9H2,1H3
InChIKeySPIUAPVMDRYMSC-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106863993
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 82701691
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
[4-(2-chloroethoxy)piperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 82701310
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
1-[4-(2-chloroethoxy)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 82688404
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 82701460
[4-(2-chloroethoxy)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 82701909
1-(2-chloro-4-methylbenzoyl)piperidine-4-carbothioamide
CID 106861309
(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695761
(2-hydrazinyl-4-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82684955

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The IUPAC name of [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone (CID 106863992) is [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone.
What is the SMILES notation for [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The canonical SMILES for [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(OCCCl)CC2)c(Cl)c1.
What is the InChIKey of [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The InChIKey is SPIUAPVMDRYMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-11-2-3-13(14(17)10-11)15(19)18-7-4-12(5-8-18)20-9-6-16/h2-3,10,12H,4-9H2,1H3.
What are the key properties of [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
[4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone has a molecular weight of 316.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 106863992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).