1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine

C23H26N2 — CID 25165683

IUPAC1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine
SMILESCc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2/c1-19-11-12-21-9-5-6-10-22(21)23(19)18-25-15-13-24(14-16-25)17-20-7-3-2-4-8-20/h2-12H,13-18H2,1H3
InChIKeyWIPBNTOTYSWEJF-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.47
Rot. Bonds4

About 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine

1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine (PubChem CID 25165683) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine
PubChem CID25165683
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine
SMILESCc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2/c1-19-11-12-21-9-5-6-10-22(21)23(19)18-25-15-13-24(14-16-25)17-20-7-3-2-4-8-20/h2-12H,13-18H2,1H3
InChIKeyWIPBNTOTYSWEJF-UHFFFAOYSA-N
XLogP4.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 9325307
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-tert-butylpiperazine
CID 3591937
1-[[8-[(2-methylnaphthalen-1-yl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methyl]naphthalen-2-ol
CID 134507355
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
4-benzyl-N-ethylpiperazin-1-amine
CID 67164318
(4-benzylpiperazin-1-yl)-naphthalen-1-ylmethanethione
CID 3273462
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
1-benzylpyrrolidine;propane
CID 143692089
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine (CID 25165683) is 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine is Cc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine?
The InChIKey is WIPBNTOTYSWEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-19-11-12-21-9-5-6-10-22(21)23(19)18-25-15-13-24(14-16-25)17-20-7-3-2-4-8-20/h2-12H,13-18H2,1H3.
What are the key properties of 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine?
1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine has a molecular weight of 330.48 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2-methylnaphthalen-1-yl)methyl]piperazine is sourced from PubChem (CID 25165683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).