1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

C16H29FN2O — CID 166113330

IUPAC1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H29FN2O/c1-13(2)15-4-8-18(9-5-15)12-16(17)6-10-19(11-7-16)14(3)20/h13,15H,4-12H2,1-3H3
InChIKeyVSNQWSSKWVGRKK-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 166113330) has the molecular formula C16H29FN2O and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID166113330
Molecular FormulaC16H29FN2O
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(F)(CN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H29FN2O/c1-13(2)15-4-8-18(9-5-15)12-16(17)6-10-19(11-7-16)14(3)20/h13,15H,4-12H2,1-3H3
InChIKeyVSNQWSSKWVGRKK-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
N,N'-di-trifluoroacetyl-4,4'-bipiperidine
CID 123597757
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone;hydrochloride
CID 127021233
2,2,2-Trifluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 58901636
1-(4-Fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
CID 59291628
1-(4-Fluoro-4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 89796447
2,2-Difluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103516156
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 117617721
1-[4-[3-(Trifluoromethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 122269555
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
1-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)ethanone
CID 146488522

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 166113330) is 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(F)(CN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is VSNQWSSKWVGRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O/c1-13(2)15-4-8-18(9-5-15)12-16(17)6-10-19(11-7-16)14(3)20/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 284.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166113330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).