1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate

C16H22FNO2 — CID 174459839

IUPAC1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate
SMILESCC(=O)OC(C)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-12(20-13(2)19)18-9-7-15(8-10-18)11-14-3-5-16(17)6-4-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyITBLNAYIKLTZMK-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate (PubChem CID 174459839) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate
PubChem CID174459839
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate
SMILESCC(=O)OC(C)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-12(20-13(2)19)18-9-7-15(8-10-18)11-14-3-5-16(17)6-4-14/h3-6,12,15H,7-11H2,1-2H3
InChIKeyITBLNAYIKLTZMK-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-hydroxy-3-methylpentan-1-one
CID 136518814
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 84585639
4-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-2,6-dimethylphenol
CID 54249226
1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 136526783
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
CID 167457452

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate (CID 174459839) is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate is CC(=O)OC(C)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate?
The InChIKey is ITBLNAYIKLTZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(20-13(2)19)18-9-7-15(8-10-18)11-14-3-5-16(17)6-4-14/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate?
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate has a molecular weight of 279.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl acetate is sourced from PubChem (CID 174459839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).