1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

C27H30N2 — CID 11660943

IUPAC1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESCN1CCN(C2CCCc3ccc(-c4ccc(-c5ccccc5)cc4)cc32)CC1
InChIInChI=1S/C27H30N2/c1-28-16-18-29(19-17-28)27-9-5-8-24-14-15-25(20-26(24)27)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-4,6-7,10-15,20,27H,5,8-9,16-19H2,1H3
InChIKeyWFGBLXFZNOSSHD-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.65
Rot. Bonds3

About 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine

1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (PubChem CID 11660943) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
PubChem CID11660943
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
SMILESCN1CCN(C2CCCc3ccc(-c4ccc(-c5ccccc5)cc4)cc32)CC1
InChIInChI=1S/C27H30N2/c1-28-16-18-29(19-17-28)27-9-5-8-24-14-15-25(20-26(24)27)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-4,6-7,10-15,20,27H,5,8-9,16-19H2,1H3
InChIKeyWFGBLXFZNOSSHD-UHFFFAOYSA-N
XLogP5.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1'-benzylspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
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1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
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CID 10421583
Piperidine, 1-(2-naphthalenylmethyl)-
CID 204543
1-(2-(Naphthalen-2-yl)-1-phenylethyl)piperazine
CID 44414860
1-(2-(Naphthalen-1-yl)-1-phenylethyl)piperazine
CID 44414861
1-Benzhydryl-4-(3,3-diphenylpropyl)piperazine
CID 44756847

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The IUPAC name of 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine (CID 11660943) is 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The canonical SMILES for 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is CN1CCN(C2CCCc3ccc(-c4ccc(-c5ccccc5)cc4)cc32)CC1.
What is the InChIKey of 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
The InChIKey is WFGBLXFZNOSSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2/c1-28-16-18-29(19-17-28)27-9-5-8-24-14-15-25(20-26(24)27)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-4,6-7,10-15,20,27H,5,8-9,16-19H2,1H3.
What are the key properties of 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine?
1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine has a molecular weight of 382.55 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine is sourced from PubChem (CID 11660943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).