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

C19H20ClFN2O2 — CID 53150756

IUPAC(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-18-5-4-15(13-22-18)19(24)23-9-6-14(7-10-23)8-11-25-17-3-1-2-16(21)12-17/h1-5,12-14H,6-11H2
InChIKeyPXRBLCZLADMZSI-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.20
Rot. Bonds5

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

(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (PubChem CID 53150756) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
PubChem CID53150756
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC(CCOc2cccc(F)c2)CC1
InChIInChI=1S/C19H20ClFN2O2/c20-18-5-4-15(13-22-18)19(24)23-9-6-14(7-10-23)8-11-25-17-3-1-2-16(21)12-17/h1-5,12-14H,6-11H2
InChIKeyPXRBLCZLADMZSI-UHFFFAOYSA-N
XLogP4.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.20
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-phenoxyethyl)piperidin-1-yl]methanone
CID 53150688
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 53038002
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
CID 53150992
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939281
(6-chloro-3-pyridinyl)-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]methanone
CID 123782065
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
(6-chloro-3-pyridinyl)-[4-[3-(3-methoxyphenyl)benzoyl]piperazin-1-yl]methanone
CID 134803037

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone (CID 53150756) is (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)nc1)N1CCC(CCOc2cccc(F)c2)CC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
The InChIKey is PXRBLCZLADMZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-18-5-4-15(13-22-18)19(24)23-9-6-14(7-10-23)8-11-25-17-3-1-2-16(21)12-17/h1-5,12-14H,6-11H2.
What are the key properties of (6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone?
(6-chloro-3-pyridinyl)-[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone has a molecular weight of 362.83 g/mol, XLogP of 4.20, 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-(3-fluorophenoxy)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).