1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one

C18H27FN2O2 — CID 84595277

IUPAC1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NC(C)CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2/c1-3-18(23)21-10-8-16(9-11-21)20-13(2)12-17(22)14-4-6-15(19)7-5-14/h4-7,13,16-17,20,22H,3,8-12H2,1-2H3
InChIKeyPPVDBLYFRJSEKL-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.63
Rot. Bonds6

About 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one

1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one (PubChem CID 84595277) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one
PubChem CID84595277
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NC(C)CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2/c1-3-18(23)21-10-8-16(9-11-21)20-13(2)12-17(22)14-4-6-15(19)7-5-14/h4-7,13,16-17,20,22H,3,8-12H2,1-2H3
InChIKeyPPVDBLYFRJSEKL-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea
CID 109499900
(3R)-3-(4-fluorophenyl)-1-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347286
(3R)-3-(4-fluorophenyl)-1-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butan-1-one
CID 97347284
N-ethyl-4-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-4-oxobutanamide
CID 111434257
4-[(4-fluorophenyl)-hydroxymethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 111109261
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820768
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one (CID 84595277) is 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(NC(C)CC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is PPVDBLYFRJSEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-3-18(23)21-10-8-16(9-11-21)20-13(2)12-17(22)14-4-6-15(19)7-5-14/h4-7,13,16-17,20,22H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one?
1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 322.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 84595277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).