1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C16H29FN2O — CID 176740151

IUPAC1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C16H29FN2O/c1-13(2)15(20)19-10-6-16(17,7-11-19)12-18-8-4-14(3)5-9-18/h13-14H,4-12H2,1-3H3
InChIKeyTVHHNLJWAWBTOW-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.70
Rot. Bonds3

About 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 176740151) has the molecular formula C16H29FN2O and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID176740151
Molecular FormulaC16H29FN2O
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C16H29FN2O/c1-13(2)15(20)19-10-6-16(17,7-11-19)12-18-8-4-14(3)5-9-18/h13-14H,4-12H2,1-3H3
InChIKeyTVHHNLJWAWBTOW-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

1,5-Bis(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 4192357
1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
1-[4-(4-Methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686014
2-Fluoro-1-(4-methylpiperidin-1-yl)ethanone
CID 45080727
1,6-Bis(4-methylpiperidin-1-yl)hexane-1,6-dione
CID 4990135
1-(3-Fluoro-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 58101535
1-(3-Fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
1-(4-Fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812207
1-(4-Fluoro-4-methylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 59553925
2-Methyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 65546001
1-(4-Ethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 68260739
1-[4-(Fluoromethyl)piperidin-1-yl]ethanone
CID 70214396

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 176740151) is 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC1CCN(CC2(F)CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is TVHHNLJWAWBTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O/c1-13(2)15(20)19-10-6-16(17,7-11-19)12-18-8-4-14(3)5-9-18/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one 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-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 176740151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).