[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C19H21FN2O2 — CID 111109390

IUPAC[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H21FN2O2/c1-13-3-2-4-17(21-13)19(24)22-11-9-15(10-12-22)18(23)14-5-7-16(20)8-6-14/h2-8,15,18,23H,9-12H2,1H3
InChIKeyQWSBORQHQNMEBY-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.11
Rot. Bonds3

About [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 111109390) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID111109390
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H21FN2O2/c1-13-3-2-4-17(21-13)19(24)22-11-9-15(10-12-22)18(23)14-5-7-16(20)8-6-14/h2-8,15,18,23H,9-12H2,1H3
InChIKeyQWSBORQHQNMEBY-UHFFFAOYSA-N
XLogP3.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 111109352
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
(2-ethyl-5-methylpyrazol-3-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109380
(4,5-dimethylthiophen-2-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109363
(2,5-dimethylphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109349
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 46511035
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 154763996
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 125154336
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 111109390) is [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCC(C(O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is QWSBORQHQNMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-3-2-4-17(21-13)19(24)22-11-9-15(10-12-22)18(23)14-5-7-16(20)8-6-14/h2-8,15,18,23H,9-12H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 111109390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).