2-piperidin-4-ylnaphthalene-1-carboxylic acid

C16H17NO2 — CID 67297193

IUPAC2-piperidin-4-ylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(C2CCNCC2)ccc2ccccc12
InChIInChI=1S/C16H17NO2/c18-16(19)15-13-4-2-1-3-11(13)5-6-14(15)12-7-9-17-10-8-12/h1-6,12,17H,7-10H2,(H,18,19)
InChIKeyCLOREVJXFUTYKM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.01
Rot. Bonds2

About 2-piperidin-4-ylnaphthalene-1-carboxylic acid

2-piperidin-4-ylnaphthalene-1-carboxylic acid (PubChem CID 67297193) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-piperidin-4-ylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-4-ylnaphthalene-1-carboxylic acid
PubChem CID67297193
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-piperidin-4-ylnaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(C2CCNCC2)ccc2ccccc12
InChIInChI=1S/C16H17NO2/c18-16(19)15-13-4-2-1-3-11(13)5-6-14(15)12-7-9-17-10-8-12/h1-6,12,17H,7-10H2,(H,18,19)
InChIKeyCLOREVJXFUTYKM-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylnaphthalene-1-carboxylic acid?
The IUPAC name of 2-piperidin-4-ylnaphthalene-1-carboxylic acid (CID 67297193) is 2-piperidin-4-ylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-piperidin-4-ylnaphthalene-1-carboxylic acid?
The canonical SMILES for 2-piperidin-4-ylnaphthalene-1-carboxylic acid is O=C(O)c1c(C2CCNCC2)ccc2ccccc12.
What is the InChIKey of 2-piperidin-4-ylnaphthalene-1-carboxylic acid?
The InChIKey is CLOREVJXFUTYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(19)15-13-4-2-1-3-11(13)5-6-14(15)12-7-9-17-10-8-12/h1-6,12,17H,7-10H2,(H,18,19).
What are the key properties of 2-piperidin-4-ylnaphthalene-1-carboxylic acid?
2-piperidin-4-ylnaphthalene-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 67297193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).