(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone

C22H25FN2O2 — CID 130450896

IUPAC(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2cc(N3CCCC3)ccc2O)CC1
InChIInChI=1S/C22H25FN2O2/c23-18-5-3-16(4-6-18)22(27)17-9-13-25(14-10-17)20-15-19(7-8-21(20)26)24-11-1-2-12-24/h3-8,15,17,26H,1-2,9-14H2
InChIKeyNFIVXWHDNCZAFK-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.23
Rot. Bonds4

About (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone (PubChem CID 130450896) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
PubChem CID130450896
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2cc(N3CCCC3)ccc2O)CC1
InChIInChI=1S/C22H25FN2O2/c23-18-5-3-16(4-6-18)22(27)17-9-13-25(14-10-17)20-15-19(7-8-21(20)26)24-11-1-2-12-24/h3-8,15,17,26H,1-2,9-14H2
InChIKeyNFIVXWHDNCZAFK-UHFFFAOYSA-N
XLogP4.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(piperidin-1-yl)phenol
CID 130450866
[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 70424100
[4-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperazin-1-yl]-phenylmethanone
CID 130451414
1-[4-[4-(azepan-1-yl)benzoyl]piperidin-1-yl]ethanone
CID 15290033
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
(4-fluorophenyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 25233587
(4-fluorophenyl)-[1-[(3S,4S)-4-hydroxypiperidin-3-yl]piperidin-4-yl]methanone
CID 53391536
[1-(2,3-dimethoxy-5-propan-2-ylphenyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 173404581
[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67173303
(4-fluorophenyl)-[1-(7-nitroso-2,1,3-benzoxadiazol-4-yl)piperidin-4-yl]methanone
CID 145477528
[1-[(3S,4S)-1-(4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;oxalic acid
CID 53392069
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone (CID 130450896) is (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(c2cc(N3CCCC3)ccc2O)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone?
The InChIKey is NFIVXWHDNCZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-18-5-3-16(4-6-18)22(27)17-9-13-25(14-10-17)20-15-19(7-8-21(20)26)24-11-1-2-12-24/h3-8,15,17,26H,1-2,9-14H2.
What are the key properties of (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone has a molecular weight of 368.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 130450896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).