1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine

C34H42N2 — CID 21366144

IUPAC1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine
SMILESCc1cc2cc(CCN3CCN(CCc4ccc5c(C)c(C)c(C)cc5c4)CC3)ccc2c(C)c1C
InChIInChI=1S/C34H42N2/c1-23-19-31-21-29(7-9-33(31)27(5)25(23)3)11-13-35-15-17-36(18-16-35)14-12-30-8-10-34-28(6)26(4)24(2)20-32(34)22-30/h7-10,19-22H,11-18H2,1-6H3
InChIKeyMZEAFUNVGARAOO-UHFFFAOYSA-N
MW478.72 g/mol
LogP7.25
Rot. Bonds6

About 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine

1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine (PubChem CID 21366144) has the molecular formula C34H42N2 and a molecular weight of 478.72 g/mol. Its IUPAC name is 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine
PubChem CID21366144
Molecular FormulaC34H42N2
Molecular Weight478.72 g/mol
Exact Mass478.33
IUPAC Name1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine
SMILESCc1cc2cc(CCN3CCN(CCc4ccc5c(C)c(C)c(C)cc5c4)CC3)ccc2c(C)c1C
InChIInChI=1S/C34H42N2/c1-23-19-31-21-29(7-9-33(31)27(5)25(23)3)11-13-35-15-17-36(18-16-35)14-12-30-8-10-34-28(6)26(4)24(2)20-32(34)22-30/h7-10,19-22H,11-18H2,1-6H3
InChIKeyMZEAFUNVGARAOO-UHFFFAOYSA-N
XLogP7.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-N,N-dimethyl-5-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalen-2-amine
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1-Cyclohexyl-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
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1-Methyl-4-(naphthalen-2-ylmethyl)piperazine
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Piperidine, 1-(2-naphthalenylmethyl)-
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CID 44414860

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine?
The IUPAC name of 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine (CID 21366144) is 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine.
What is the SMILES notation for 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine?
The canonical SMILES for 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine is Cc1cc2cc(CCN3CCN(CCc4ccc5c(C)c(C)c(C)cc5c4)CC3)ccc2c(C)c1C.
What is the InChIKey of 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine?
The InChIKey is MZEAFUNVGARAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2/c1-23-19-31-21-29(7-9-33(31)27(5)25(23)3)11-13-35-15-17-36(18-16-35)14-12-30-8-10-34-28(6)26(4)24(2)20-32(34)22-30/h7-10,19-22H,11-18H2,1-6H3.
What are the key properties of 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine?
1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine has a molecular weight of 478.72 g/mol, XLogP of 7.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(5,6,7-trimethylnaphthalen-2-yl)ethyl]piperazine is sourced from PubChem (CID 21366144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).