5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one

C19H27FN2O — CID 138810002

IUPAC5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCN1CC(CN2CCC(Cc3ccc(F)cc3)CC2)CCC1=O
InChIInChI=1S/C19H27FN2O/c1-21-13-17(4-7-19(21)23)14-22-10-8-16(9-11-22)12-15-2-5-18(20)6-3-15/h2-3,5-6,16-17H,4,7-14H2,1H3
InChIKeyZAENHEFPJAMUEK-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.95
Rot. Bonds4

About 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one

5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one (PubChem CID 138810002) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
PubChem CID138810002
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCN1CC(CN2CCC(Cc3ccc(F)cc3)CC2)CCC1=O
InChIInChI=1S/C19H27FN2O/c1-21-13-17(4-7-19(21)23)14-22-10-8-16(9-11-22)12-15-2-5-18(20)6-3-15/h2-3,5-6,16-17H,4,7-14H2,1H3
InChIKeyZAENHEFPJAMUEK-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
CID 138808378
4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 54174979
1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 138808942
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
CID 119136182
3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one
CID 118991776
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 154807730
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one (CID 138810002) is 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one is CN1CC(CN2CCC(Cc3ccc(F)cc3)CC2)CCC1=O.
What is the InChIKey of 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The InChIKey is ZAENHEFPJAMUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-21-13-17(4-7-19(21)23)14-22-10-8-16(9-11-22)12-15-2-5-18(20)6-3-15/h2-3,5-6,16-17H,4,7-14H2,1H3.
What are the key properties of 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one?
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one has a molecular weight of 318.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 138810002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).