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

C18H25FN2O2 — CID 125151598

IUPAC[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O2/c19-15-6-4-13(5-7-15)17(22)14-8-11-21(12-9-14)18(23)16-3-1-2-10-20-16/h4-7,14,16-17,20,22H,1-3,8-12H2/t16-,17+/m1/s1
InChIKeyKETBCMRVSTWLDD-SJORKVTESA-N
MW320.41 g/mol
LogP2.24
Rot. Bonds3

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

[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 125151598) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID125151598
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H25FN2O2/c19-15-6-4-13(5-7-15)17(22)14-8-11-21(12-9-14)18(23)16-3-1-2-10-20-16/h4-7,14,16-17,20,22H,1-3,8-12H2/t16-,17+/m1/s1
InChIKeyKETBCMRVSTWLDD-SJORKVTESA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 110909519
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119321794
[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124594783
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
CID 124594780
7-bicyclo[4.1.0]heptanyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111520537
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
(4-fluorophenyl)-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]methanone
CID 50852464
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 129494430
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 125151598) is [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is KETBCMRVSTWLDD-SJORKVTESA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-15-6-4-13(5-7-15)17(22)14-8-11-21(12-9-14)18(23)16-3-1-2-10-20-16/h4-7,14,16-17,20,22H,1-3,8-12H2/t16-,17+/m1/s1.
What are the key properties of [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 125151598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).