(4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

C18H18ClFN2O2 — CID 56783972

IUPAC(4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-8-21-16(11-14)18(24)22-9-6-13(7-10-22)17(23)12-1-3-15(20)4-2-12/h1-5,8,11,13,17,23H,6-7,9-10H2
InChIKeySZPLUZDFSYHJMC-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.46
Rot. Bonds3

About (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone

(4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (PubChem CID 56783972) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
PubChem CID56783972
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name(4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-8-21-16(11-14)18(24)22-9-6-13(7-10-22)17(23)12-1-3-15(20)4-2-12/h1-5,8,11,13,17,23H,6-7,9-10H2
InChIKeySZPLUZDFSYHJMC-UHFFFAOYSA-N
XLogP3.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 57889158
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-(hydroxymethyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 23625239
7-[(1S)-2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 124201729
7-[(1R)-2-(6-chloro-3-pyridinyl)-1-hydroxyethyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 124201730
US10323029, Generic formula 52725 IB
CID 130288190
US9611261, Example 419
CID 138106831
N-[4-(2-Chloro-phenyl)-pyridin-3-yl]-3-hydroxymethyl-N-methyl-5-trifluoromethyl-benzamide
CID 70663287
2-(4-{2-[(3-Fluorophenyl)methoxy]ethyl}piperidine-1-carbonyl)pyridine
CID 53150648
N-[(3R*,4R*)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide
CID 70737626
(5-Chloro-2-pyridinyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 71998899
[4-(2,3-Dimethylphenyl)-4-hydroxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 72125097
[1-(2-Chloro-5-fluorobenzoyl)-4-(pyridin-2-YL)pyrrolidin-3-YL]methanol
CID 110203332

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone (CID 56783972) is (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is O=C(c1cc(Cl)ccn1)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
The InChIKey is SZPLUZDFSYHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-14-5-8-21-16(11-14)18(24)22-9-6-13(7-10-22)17(23)12-1-3-15(20)4-2-12/h1-5,8,11,13,17,23H,6-7,9-10H2.
What are the key properties of (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone?
(4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone has a molecular weight of 348.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56783972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).