naphthalen-2-yl piperidine-1-carboxylate

C16H17NO2 — CID 3449945

IUPACnaphthalen-2-yl piperidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-16(17-10-4-1-5-11-17)19-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyDYQYKXUACSASLT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.82
Rot. Bonds1

About naphthalen-2-yl piperidine-1-carboxylate

naphthalen-2-yl piperidine-1-carboxylate (PubChem CID 3449945) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is naphthalen-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-yl piperidine-1-carboxylate
PubChem CID3449945
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namenaphthalen-2-yl piperidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-16(17-10-4-1-5-11-17)19-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyDYQYKXUACSASLT-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl piperidine-1-carboxylate?
The IUPAC name of naphthalen-2-yl piperidine-1-carboxylate (CID 3449945) is naphthalen-2-yl piperidine-1-carboxylate.
What is the SMILES notation for naphthalen-2-yl piperidine-1-carboxylate?
The canonical SMILES for naphthalen-2-yl piperidine-1-carboxylate is O=C(Oc1ccc2ccccc2c1)N1CCCCC1.
What is the InChIKey of naphthalen-2-yl piperidine-1-carboxylate?
The InChIKey is DYQYKXUACSASLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(17-10-4-1-5-11-17)19-15-9-8-13-6-2-3-7-14(13)12-15/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of naphthalen-2-yl piperidine-1-carboxylate?
naphthalen-2-yl piperidine-1-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 3449945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).