1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone

C21H24FNO — CID 142816425

IUPAC1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone
SMILESO=C(CC1=C(F)C=CC=CC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24FNO/c22-20-10-6-2-5-9-19(20)15-21(24)18-11-13-23(14-12-18)16-17-7-3-1-4-8-17/h1-8,10,18H,9,11-16H2
InChIKeyYLZPWNBOPKHZCW-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.60
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone

1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone (PubChem CID 142816425) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone
PubChem CID142816425
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone
SMILESO=C(CC1=C(F)C=CC=CC1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24FNO/c22-20-10-6-2-5-9-19(20)15-21(24)18-11-13-23(14-12-18)16-17-7-3-1-4-8-17/h1-8,10,18H,9,11-16H2
InChIKeyYLZPWNBOPKHZCW-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
1-(1-benzylpiperidin-4-yl)-2-naphthalen-1-ylethanone
CID 22247948
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
ethane;1-(1-ethylpiperidin-4-yl)-2-phenylethanone
CID 142846441
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335
1-[(3R)-1-benzylpyrrolidin-3-yl]-2-methylpropan-1-one
CID 59669005
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-(1-benzylpiperidin-4-yl)-2-iminoethanone
CID 91320991
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone (CID 142816425) is 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone is O=C(CC1=C(F)C=CC=CC1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone?
The InChIKey is YLZPWNBOPKHZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c22-20-10-6-2-5-9-19(20)15-21(24)18-11-13-23(14-12-18)16-17-7-3-1-4-8-17/h1-8,10,18H,9,11-16H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone?
1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone has a molecular weight of 325.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-(2-fluorocyclohepta-1,3,5-trien-1-yl)ethanone is sourced from PubChem (CID 142816425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).