(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

C19H21ClN2O2 — CID 53150688

IUPAC(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-18-7-6-16(14-21-18)19(23)22-11-8-15(9-12-22)10-13-24-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2
InChIKeyBKKMGFWLLKZEEP-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.06
Rot. Bonds5

About (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone

(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150688) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
PubChem CID53150688
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC(CCOc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-18-7-6-16(14-21-18)19(23)22-11-8-15(9-12-22)10-13-24-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2
InChIKeyBKKMGFWLLKZEEP-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 53150756
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
(5-chlorothiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150692
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
[4-(2-phenoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150724
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799605
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
(5-methylthiophen-2-yl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150687
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone (CID 53150688) is (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCC(CCOc2ccccc2)CC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
The InChIKey is BKKMGFWLLKZEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-18-7-6-16(14-21-18)19(23)22-11-8-15(9-12-22)10-13-24-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2.
What are the key properties of (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone?
(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone has a molecular weight of 344.84 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).