(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate

C16H16FNO2 — CID 170622073

IUPAC(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1F)N1CCCCC1
InChIInChI=1S/C16H16FNO2/c17-15-13-7-3-2-6-12(13)8-9-14(15)20-16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2
InChIKeyLKKWYAMQOJTAAD-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.96
Rot. Bonds1

About (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate

(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate (PubChem CID 170622073) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
PubChem CID170622073
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1F)N1CCCCC1
InChIInChI=1S/C16H16FNO2/c17-15-13-7-3-2-6-12(13)8-9-14(15)20-16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2
InChIKeyLKKWYAMQOJTAAD-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
CID 23766816
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
CID 142555031
naphthalen-1-yl thiomorpholine-4-carboxylate
CID 138533444
(1-carbamoylnaphthalen-2-yl) 4-[4-(trifluoromethyl)benzoyl]-1,4-diazepane-1-carboxylate
CID 90885485
(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate
CID 11515131
1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
(2R)-2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7640054
(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethanone
CID 11572416
2-[1-(aminomethyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylethanone
CID 43505486
(1-acetylnaphthalen-2-yl) 4-benzylpiperidine-1-carboxylate
CID 11625234
(2-prop-1-en-2-ylphenyl) pyrrolidine-1-carboxylate
CID 171829484

Frequently Asked Questions

What is the IUPAC name of (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate?
The IUPAC name of (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate (CID 170622073) is (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate.
What is the SMILES notation for (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate?
The canonical SMILES for (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate is O=C(Oc1ccc2ccccc2c1F)N1CCCCC1.
What is the InChIKey of (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate?
The InChIKey is LKKWYAMQOJTAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-13-7-3-2-6-12(13)8-9-14(15)20-16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2.
What are the key properties of (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate?
(1-fluoronaphthalen-2-yl) piperidine-1-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoronaphthalen-2-yl) piperidine-1-carboxylate is sourced from PubChem (CID 170622073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).