1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine

C23H24N2 — CID 68830875

IUPAC1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine
SMILESc1ccc(CN2CCN(C3Cc4cccc5cccc3c45)CC2)cc1
InChIInChI=1S/C23H24N2/c1-2-6-18(7-3-1)17-24-12-14-25(15-13-24)22-16-20-10-4-8-19-9-5-11-21(22)23(19)20/h1-11,22H,12-17H2
InChIKeyCWGNYVPFFDSPMF-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.25
Rot. Bonds3

About 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine

1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine (PubChem CID 68830875) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine
PubChem CID68830875
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine
SMILESc1ccc(CN2CCN(C3Cc4cccc5cccc3c45)CC2)cc1
InChIInChI=1S/C23H24N2/c1-2-6-18(7-3-1)17-24-12-14-25(15-13-24)22-16-20-10-4-8-19-9-5-11-21(22)23(19)20/h1-11,22H,12-17H2
InChIKeyCWGNYVPFFDSPMF-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113361696
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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1-benzyl-4-cyclopropylpiperazine
CID 69195043
8-(1,2-dihydroacenaphthylen-1-yl)-1-phenyl-1,8-diazaspiro[4.5]decane-2,4-dione
CID 18002561
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
(3R)-3-[(4-benzylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 112736433
4-[[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 167751175
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
(NE)-N-[(4E,8E,12S)-12-(4-benzylpiperazin-1-yl)cyclododeca-4,8-dien-1-ylidene]hydroxylamine
CID 98157270
1-benzyl-4-(1,2-dihydropyridin-2-yl)piperazine
CID 22219583
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine?
The IUPAC name of 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine (CID 68830875) is 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine.
What is the SMILES notation for 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine?
The canonical SMILES for 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine is c1ccc(CN2CCN(C3Cc4cccc5cccc3c45)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine?
The InChIKey is CWGNYVPFFDSPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-6-18(7-3-1)17-24-12-14-25(15-13-24)22-16-20-10-4-8-19-9-5-11-21(22)23(19)20/h1-11,22H,12-17H2.
What are the key properties of 1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine?
1-benzyl-4-(1,2-dihydroacenaphthylen-1-yl)piperazine has a molecular weight of 328.46 g/mol, XLogP of 4.25, 3 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-dihydroacenaphthylen-1-yl)piperazine is sourced from PubChem (CID 68830875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).