1-methyl-4-(naphthalen-2-ylmethyl)piperazine

C16H20N2 — CID 765796

IUPAC1-methyl-4-(naphthalen-2-ylmethyl)piperazine
SMILESCN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H20N2/c1-17-8-10-18(11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12H,8-11,13H2,1H3
InChIKeyBLILDGYKPCVLLV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.59
Rot. Bonds2

About 1-methyl-4-(naphthalen-2-ylmethyl)piperazine

1-methyl-4-(naphthalen-2-ylmethyl)piperazine (PubChem CID 765796) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-4-(naphthalen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(naphthalen-2-ylmethyl)piperazine
PubChem CID765796
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-methyl-4-(naphthalen-2-ylmethyl)piperazine
SMILESCN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C16H20N2/c1-17-8-10-18(11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12H,8-11,13H2,1H3
InChIKeyBLILDGYKPCVLLV-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(naphthalen-2-ylmethyl)piperazine?
The IUPAC name of 1-methyl-4-(naphthalen-2-ylmethyl)piperazine (CID 765796) is 1-methyl-4-(naphthalen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(naphthalen-2-ylmethyl)piperazine?
The canonical SMILES for 1-methyl-4-(naphthalen-2-ylmethyl)piperazine is CN1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-methyl-4-(naphthalen-2-ylmethyl)piperazine?
The InChIKey is BLILDGYKPCVLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-17-8-10-18(11-9-17)13-14-6-7-15-4-2-3-5-16(15)12-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-methyl-4-(naphthalen-2-ylmethyl)piperazine?
1-methyl-4-(naphthalen-2-ylmethyl)piperazine has a molecular weight of 240.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(naphthalen-2-ylmethyl)piperazine is sourced from PubChem (CID 765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).