1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine

C22H28N2 — CID 10758083

IUPAC1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(CC3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C22H28N2/c1-2-6-19(7-3-1)17-23-12-14-24(15-13-23)18-20-10-11-21-8-4-5-9-22(21)16-20/h1-9,20H,10-18H2
InChIKeyXBTOAGKXNKAIIR-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.61
Rot. Bonds4

About 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine

1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine (PubChem CID 10758083) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine
PubChem CID10758083
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine
SMILESc1ccc(CN2CCN(CC3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C22H28N2/c1-2-6-19(7-3-1)17-23-12-14-24(15-13-23)18-20-10-11-21-8-4-5-9-22(21)16-20/h1-9,20H,10-18H2
InChIKeyXBTOAGKXNKAIIR-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine?
The IUPAC name of 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine (CID 10758083) is 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine?
The canonical SMILES for 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine is c1ccc(CN2CCN(CC3CCc4ccccc4C3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine?
The InChIKey is XBTOAGKXNKAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-2-6-19(7-3-1)17-23-12-14-24(15-13-23)18-20-10-11-21-8-4-5-9-22(21)16-20/h1-9,20H,10-18H2.
What are the key properties of 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine?
1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine has a molecular weight of 320.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)piperazine is sourced from PubChem (CID 10758083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).