(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone

C15H20Cl2N2O — CID 106993810

IUPAC(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-3-15(4-2)7-9-19(10-8-15)14(20)11-5-6-12(16)18-13(11)17/h5-6H,3-4,7-10H2,1-2H3
InChIKeyRHSHOUXTRSXABK-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.43
Rot. Bonds3

About (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone

(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 106993810) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID106993810
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-3-15(4-2)7-9-19(10-8-15)14(20)11-5-6-12(16)18-13(11)17/h5-6H,3-4,7-10H2,1-2H3
InChIKeyRHSHOUXTRSXABK-UHFFFAOYSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-butan-2-ylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993762
(2-chloro-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029313
(3-amino-2-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 115930537
(4-chloro-6-methyl-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81227303
4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 47078827
(4-cyclopropylpiperazin-1-yl)-(2,6-dichloro-3-pyridinyl)methanone
CID 106993357
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
(2,6-dichloro-3-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 106993356
(4-chloro-2-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 55164875
(2-amino-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63162097
(2,6-dichloro-3-pyridinyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 106994159

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 106993810) is (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is RHSHOUXTRSXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-3-15(4-2)7-9-19(10-8-15)14(20)11-5-6-12(16)18-13(11)17/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone?
(2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 315.24 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 106993810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).