[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone

C16H20FNO2 — CID 46153756

IUPAC[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESC/C=C\COC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FNO2/c1-2-3-11-20-15-5-4-10-18(12-15)16(19)13-6-8-14(17)9-7-13/h2-3,6-9,15H,4-5,10-12H2,1H3/b3-2-
InChIKeyFFBJFUGKVRLLBN-IHWYPQMZSA-N
MW277.34 g/mol
LogP3.02
Rot. Bonds4

About [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone

[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 46153756) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID46153756
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESC/C=C\COC1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H20FNO2/c1-2-3-11-20-15-5-4-10-18(12-15)16(19)13-6-8-14(17)9-7-13/h2-3,6-9,15H,4-5,10-12H2,1H3/b3-2-
InChIKeyFFBJFUGKVRLLBN-IHWYPQMZSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844207
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
phenyl-(3-prop-2-enoxypiperidin-1-yl)methanone
CID 42656385
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-[3-[(Z)-but-2-enoxy]piperidin-1-yl]-2-methylpropan-1-one
CID 42656429
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate
CID 11978474
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763

Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 46153756) is [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone is C/C=C\COC1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is FFBJFUGKVRLLBN-IHWYPQMZSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-3-11-20-15-5-4-10-18(12-15)16(19)13-6-8-14(17)9-7-13/h2-3,6-9,15H,4-5,10-12H2,1H3/b3-2-.
What are the key properties of [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 277.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46153756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).