1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one

C16H22FNO — CID 110289503

IUPAC1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO/c1-2-3-16(19)18-10-8-14(9-11-18)12-13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12H2,1H3
InChIKeyBNGHHAKRHCKKEV-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 110289503) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
PubChem CID110289503
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO/c1-2-3-16(19)18-10-8-14(9-11-18)12-13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12H2,1H3
InChIKeyBNGHHAKRHCKKEV-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)propan-1-one;hydrochloride
CID 119644081
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
CID 167457452
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
3-(2-aminophenyl)-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 120610859
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one (CID 110289503) is 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is BNGHHAKRHCKKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-3-16(19)18-10-8-14(9-11-18)12-13-4-6-15(17)7-5-13/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one?
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110289503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).