1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine

C24H30N2 — CID 11791902

IUPAC1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine
SMILESC1=C(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc2CC1
InChIInChI=1S/C24H30N2/c1-2-8-21(9-3-1)20-26-18-16-25(17-19-26)15-7-13-23-12-6-11-22-10-4-5-14-24(22)23/h1-5,8-10,12,14H,6-7,11,13,15-20H2
InChIKeyBURLNZFZEWVOBR-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.61
Rot. Bonds6

About 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine

1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine (PubChem CID 11791902) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine
PubChem CID11791902
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine
SMILESC1=C(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc2CC1
InChIInChI=1S/C24H30N2/c1-2-8-21(9-3-1)20-26-18-16-25(17-19-26)15-7-13-23-12-6-11-22-10-4-5-14-24(22)23/h1-5,8-10,12,14H,6-7,11,13,15-20H2
InChIKeyBURLNZFZEWVOBR-UHFFFAOYSA-N
XLogP4.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine (CID 11791902) is 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine is C1=C(CCCN2CCN(Cc3ccccc3)CC2)c2ccccc2CC1.
What is the InChIKey of 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine?
The InChIKey is BURLNZFZEWVOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-2-8-21(9-3-1)20-26-18-16-25(17-19-26)15-7-13-23-12-6-11-22-10-4-5-14-24(22)23/h1-5,8-10,12,14H,6-7,11,13,15-20H2.
What are the key properties of 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine?
1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine has a molecular weight of 346.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(3,4-dihydronaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 11791902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).