1-(naphthalen-1-ylmethyl)piperazine

C15H18N2 — CID 701891

IUPAC1-(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc2c(CN3CCNCC3)cccc2c1
InChIInChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)12-17-10-8-16-9-11-17/h1-7,16H,8-12H2
InChIKeyHGYDREHWXXUUIS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.24
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)piperazine

1-(naphthalen-1-ylmethyl)piperazine (PubChem CID 701891) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)piperazine
PubChem CID701891
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc2c(CN3CCNCC3)cccc2c1
InChIInChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)12-17-10-8-16-9-11-17/h1-7,16H,8-12H2
InChIKeyHGYDREHWXXUUIS-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-(naphthalen-1-ylmethyl)piperazine (CID 701891) is 1-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)piperazine is c1ccc2c(CN3CCNCC3)cccc2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is HGYDREHWXXUUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-7-15-13(4-1)5-3-6-14(15)12-17-10-8-16-9-11-17/h1-7,16H,8-12H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)piperazine?
1-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 226.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 701891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).