2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone

C19H24Cl2N2O — CID 15123217

IUPAC2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CC=CCC1
InChIInChI=1S/C19H24Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h1,3,7-8,12,16H,2,4-6,9-11,13-14H2
InChIKeyADAPJJJJIQWICU-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.18
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 15123217) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID15123217
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CC=CCC1
InChIInChI=1S/C19H24Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h1,3,7-8,12,16H,2,4-6,9-11,13-14H2
InChIKeyADAPJJJJIQWICU-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone (CID 15123217) is 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCCC1CN1CC=CCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is ADAPJJJJIQWICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O/c20-17-8-7-15(12-18(17)21)13-19(24)23-11-5-2-6-16(23)14-22-9-3-1-4-10-22/h1,3,7-8,12,16H,2,4-6,9-11,13-14H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 367.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 15123217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).