6-(piperidin-1-ylmethyl)naphthalen-2-amine

C16H20N2 — CID 11994280

IUPAC6-(piperidin-1-ylmethyl)naphthalen-2-amine
SMILESNc1ccc2cc(CN3CCCCC3)ccc2c1
InChIInChI=1S/C16H20N2/c17-16-7-6-14-10-13(4-5-15(14)11-16)12-18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9,12,17H2
InChIKeyPZJPGXPFQBLOHQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.41
Rot. Bonds2

About 6-(piperidin-1-ylmethyl)naphthalen-2-amine

6-(piperidin-1-ylmethyl)naphthalen-2-amine (PubChem CID 11994280) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-(piperidin-1-ylmethyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(piperidin-1-ylmethyl)naphthalen-2-amine
PubChem CID11994280
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name6-(piperidin-1-ylmethyl)naphthalen-2-amine
SMILESNc1ccc2cc(CN3CCCCC3)ccc2c1
InChIInChI=1S/C16H20N2/c17-16-7-6-14-10-13(4-5-15(14)11-16)12-18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9,12,17H2
InChIKeyPZJPGXPFQBLOHQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-1-ylmethyl)naphthalen-2-amine?
The IUPAC name of 6-(piperidin-1-ylmethyl)naphthalen-2-amine (CID 11994280) is 6-(piperidin-1-ylmethyl)naphthalen-2-amine.
What is the SMILES notation for 6-(piperidin-1-ylmethyl)naphthalen-2-amine?
The canonical SMILES for 6-(piperidin-1-ylmethyl)naphthalen-2-amine is Nc1ccc2cc(CN3CCCCC3)ccc2c1.
What is the InChIKey of 6-(piperidin-1-ylmethyl)naphthalen-2-amine?
The InChIKey is PZJPGXPFQBLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c17-16-7-6-14-10-13(4-5-15(14)11-16)12-18-8-2-1-3-9-18/h4-7,10-11H,1-3,8-9,12,17H2.
What are the key properties of 6-(piperidin-1-ylmethyl)naphthalen-2-amine?
6-(piperidin-1-ylmethyl)naphthalen-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-1-ylmethyl)naphthalen-2-amine is sourced from PubChem (CID 11994280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).