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

C16H16BrNO2 — CID 735652

IUPAC(1-bromonaphthalen-2-yl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1Br)N1CCCCC1
InChIInChI=1S/C16H16BrNO2/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
InChIKeyMFHMOUCSHMXHBJ-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.59
Rot. Bonds1

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

(1-bromonaphthalen-2-yl) piperidine-1-carboxylate (PubChem CID 735652) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (1-bromonaphthalen-2-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-bromonaphthalen-2-yl) piperidine-1-carboxylate
PubChem CID735652
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(1-bromonaphthalen-2-yl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc2ccccc2c1Br)N1CCCCC1
InChIInChI=1S/C16H16BrNO2/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
InChIKeyMFHMOUCSHMXHBJ-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-bromonaphthalen-2-yl) piperidine-1-carboxylate?
The IUPAC name of (1-bromonaphthalen-2-yl) piperidine-1-carboxylate (CID 735652) is (1-bromonaphthalen-2-yl) piperidine-1-carboxylate.
What is the SMILES notation for (1-bromonaphthalen-2-yl) piperidine-1-carboxylate?
The canonical SMILES for (1-bromonaphthalen-2-yl) piperidine-1-carboxylate is O=C(Oc1ccc2ccccc2c1Br)N1CCCCC1.
What is the InChIKey of (1-bromonaphthalen-2-yl) piperidine-1-carboxylate?
The InChIKey is MFHMOUCSHMXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/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-bromonaphthalen-2-yl) piperidine-1-carboxylate?
(1-bromonaphthalen-2-yl) piperidine-1-carboxylate has a molecular weight of 334.21 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromonaphthalen-2-yl) piperidine-1-carboxylate is sourced from PubChem (CID 735652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).