[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone

C17H18FNO — CID 155977046

IUPAC[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCC(CF)CC1
InChIInChI=1S/C17H18FNO/c18-12-13-7-9-19(10-8-13)17(20)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,13H,7-10,12H2
InChIKeyXUNPZUWYBJNOED-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.66
Rot. Bonds2

About [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone

[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 155977046) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
PubChem CID155977046
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCC(CF)CC1
InChIInChI=1S/C17H18FNO/c18-12-13-7-9-19(10-8-13)17(20)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,13H,7-10,12H2
InChIKeyXUNPZUWYBJNOED-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888
(4-azidopiperidin-1-yl)-naphthalen-2-ylmethanone
CID 151106510
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
[4-(2-hydroxyethyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 43390847
(3-chloro-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102961716
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
N-[[(3S)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211363
(3-bromo-4-methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 102962324
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-naphthalen-2-ylmethanone
CID 121191882
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 30102573

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone (CID 155977046) is [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCC(CF)CC1.
What is the InChIKey of [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is XUNPZUWYBJNOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-12-13-7-9-19(10-8-13)17(20)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11,13H,7-10,12H2.
What are the key properties of [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone?
[4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 271.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)piperidin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 155977046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).