[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone

C19H21FN2O2 — CID 111109352

IUPAC[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c1-13-17(3-2-10-21-13)19(24)22-11-8-15(9-12-22)18(23)14-4-6-16(20)7-5-14/h2-7,10,15,18,23H,8-9,11-12H2,1H3
InChIKeyVAUVCVNZVIAIBU-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.11
Rot. Bonds3

About [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone

[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone (PubChem CID 111109352) 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]-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
PubChem CID111109352
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O2/c1-13-17(3-2-10-21-13)19(24)22-11-8-15(9-12-22)18(23)14-4-6-16(20)7-5-14/h2-7,10,15,18,23H,8-9,11-12H2,1H3
InChIKeyVAUVCVNZVIAIBU-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-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95617040
3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 111109373
(2,5-dimethylphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109349
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543
(2-chloro-4-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56803648
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 154763996
(4,5-dimethylthiophen-2-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109363
(2-ethyl-5-methylpyrazol-3-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109380
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone (CID 111109352) is [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)N1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
The InChIKey is VAUVCVNZVIAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-17(3-2-10-21-13)19(24)22-11-8-15(9-12-22)18(23)14-4-6-16(20)7-5-14/h2-7,10,15,18,23H,8-9,11-12H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone?
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methyl-3-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]-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 111109352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).