1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine

C21H22N2 — CID 10851915

IUPAC1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine
SMILESCN1CCN(c2cc(-c3ccccc3)c3ccccc3c2)CC1
InChIInChI=1S/C21H22N2/c1-22-11-13-23(14-12-22)19-15-18-9-5-6-10-20(18)21(16-19)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
InChIKeyUKKRGSMMCUVPDJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.26
Rot. Bonds2

About 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine

1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine (PubChem CID 10851915) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine
PubChem CID10851915
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine
SMILESCN1CCN(c2cc(-c3ccccc3)c3ccccc3c2)CC1
InChIInChI=1S/C21H22N2/c1-22-11-13-23(14-12-22)19-15-18-9-5-6-10-20(18)21(16-19)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
InChIKeyUKKRGSMMCUVPDJ-UHFFFAOYSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine (CID 10851915) is 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine is CN1CCN(c2cc(-c3ccccc3)c3ccccc3c2)CC1.
What is the InChIKey of 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine?
The InChIKey is UKKRGSMMCUVPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-22-11-13-23(14-12-22)19-15-18-9-5-6-10-20(18)21(16-19)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine?
1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine has a molecular weight of 302.42 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenylnaphthalen-2-yl)piperazine is sourced from PubChem (CID 10851915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).