(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

C16H23ClN2O — CID 104967300

IUPAC(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(Cl)n1
InChIInChI=1S/C16H23ClN2O/c1-4-6-14-9-13(10-15(17)18-14)16(20)19-11(2)7-5-8-12(19)3/h9-12H,4-8H2,1-3H3/t11-,12+
InChIKeyWSXRQSJENXJBAR-TXEJJXNPSA-N
MW294.83 g/mol
LogP4.09
Rot. Bonds3

About (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 104967300) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID104967300
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(Cl)n1
InChIInChI=1S/C16H23ClN2O/c1-4-6-14-9-13(10-15(17)18-14)16(20)19-11(2)7-5-8-12(19)3/h9-12H,4-8H2,1-3H3/t11-,12+
InChIKeyWSXRQSJENXJBAR-TXEJJXNPSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 104967300) is (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is CCCc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is WSXRQSJENXJBAR-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-6-14-9-13(10-15(17)18-14)16(20)19-11(2)7-5-8-12(19)3/h9-12H,4-8H2,1-3H3/t11-,12+.
What are the key properties of (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
(2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 294.83 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-propyl-4-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 104967300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).