1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone

C18H22FNO3 — CID 131961692

IUPAC1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone
SMILESCC(=O)C1(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H22FNO3/c1-13(21)18(6-7-18)16(22)20-10-8-17(23,9-11-20)12-14-2-4-15(19)5-3-14/h2-5,23H,6-12H2,1H3
InChIKeyFTUAVXWBHLDOGW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.09
Rot. Bonds4

About 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone

1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone (PubChem CID 131961692) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone
PubChem CID131961692
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone
SMILESCC(=O)C1(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H22FNO3/c1-13(21)18(6-7-18)16(22)20-10-8-17(23,9-11-20)12-14-2-4-15(19)5-3-14/h2-5,23H,6-12H2,1H3
InChIKeyFTUAVXWBHLDOGW-UHFFFAOYSA-N
XLogP2.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
2-fluoro-1-[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 167941877
[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126818993
1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 136532750
[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone
CID 89491755
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
3-[(4-fluorophenyl)methyl]-1-methylazetidin-3-ol
CID 83818582
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971218
2-[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-4-methylpentanoic acid
CID 136552349
methyl 2-[5-bromo-2-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethoxy]phenyl]acetate
CID 58678169
4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 91084745
2-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]acetamide
CID 142637723

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone (CID 131961692) is 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone is CC(=O)C1(C(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone?
The InChIKey is FTUAVXWBHLDOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-13(21)18(6-7-18)16(22)20-10-8-17(23,9-11-20)12-14-2-4-15(19)5-3-14/h2-5,23H,6-12H2,1H3.
What are the key properties of 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone?
1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone has a molecular weight of 319.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone is sourced from PubChem (CID 131961692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).