1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine

C27H26N2 — CID 5211839

IUPAC1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
SMILESc1ccc(-c2ccc(C(c3ccc4ccccc4c3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C27H26N2/c1-2-6-21(7-3-1)23-10-13-24(14-11-23)27(29-18-16-28-17-19-29)26-15-12-22-8-4-5-9-25(22)20-26/h1-15,20,27-28H,16-19H2
InChIKeyXDLATQWMNQGUKJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.50
Rot. Bonds4

About 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine

1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine (PubChem CID 5211839) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
PubChem CID5211839
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
SMILESc1ccc(-c2ccc(C(c3ccc4ccccc4c3)N3CCNCC3)cc2)cc1
InChIInChI=1S/C27H26N2/c1-2-6-21(7-3-1)23-10-13-24(14-11-23)27(29-18-16-28-17-19-29)26-15-12-22-8-4-5-9-25(22)20-26/h1-15,20,27-28H,16-19H2
InChIKeyXDLATQWMNQGUKJ-UHFFFAOYSA-N
XLogP5.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
CID 3348475
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927
1-[(3-chlorophenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3829385
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3939194
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(3-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3314309
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
CID 3816989
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3321210

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine (CID 5211839) is 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine is c1ccc(-c2ccc(C(c3ccc4ccccc4c3)N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine?
The InChIKey is XDLATQWMNQGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-2-6-21(7-3-1)23-10-13-24(14-11-23)27(29-18-16-28-17-19-29)26-15-12-22-8-4-5-9-25(22)20-26/h1-15,20,27-28H,16-19H2.
What are the key properties of 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine?
1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine has a molecular weight of 378.52 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 5211839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).