1,4-bis(naphthalen-1-ylmethyl)piperazine

C26H26N2 — CID 4846171

IUPAC1,4-bis(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc2c(CN3CCN(Cc4cccc5ccccc45)CC3)cccc2c1
InChIInChI=1S/C26H26N2/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-15-17-28(18-16-27)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14H,15-20H2
InChIKeyHLIYCXYFCFMPJG-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.31
Rot. Bonds4

About 1,4-bis(naphthalen-1-ylmethyl)piperazine

1,4-bis(naphthalen-1-ylmethyl)piperazine (PubChem CID 4846171) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1,4-bis(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1,4-bis(naphthalen-1-ylmethyl)piperazine
PubChem CID4846171
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name1,4-bis(naphthalen-1-ylmethyl)piperazine
SMILESc1ccc2c(CN3CCN(Cc4cccc5ccccc45)CC3)cccc2c1
InChIInChI=1S/C26H26N2/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-15-17-28(18-16-27)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14H,15-20H2
InChIKeyHLIYCXYFCFMPJG-UHFFFAOYSA-N
XLogP5.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
(E)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6891657
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 9047136

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1,4-bis(naphthalen-1-ylmethyl)piperazine (CID 4846171) is 1,4-bis(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1,4-bis(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1,4-bis(naphthalen-1-ylmethyl)piperazine is c1ccc2c(CN3CCN(Cc4cccc5ccccc45)CC3)cccc2c1.
What is the InChIKey of 1,4-bis(naphthalen-1-ylmethyl)piperazine?
The InChIKey is HLIYCXYFCFMPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-15-17-28(18-16-27)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14H,15-20H2.
What are the key properties of 1,4-bis(naphthalen-1-ylmethyl)piperazine?
1,4-bis(naphthalen-1-ylmethyl)piperazine has a molecular weight of 366.51 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 4846171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).