1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine

C24H26N2 — CID 1377016

IUPAC1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H26N2/c1-2-7-21(8-3-1)9-6-14-25-15-17-26(18-16-25)20-22-12-13-23-10-4-5-11-24(23)19-22/h1-13,19H,14-18,20H2/b9-6+
InChIKeyNJIYUFSFOSQQRR-RMKNXTFCSA-N
MW342.49 g/mol
LogP4.67
Rot. Bonds5

About 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine

1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 1377016) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID1377016
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H26N2/c1-2-7-21(8-3-1)9-6-14-25-15-17-26(18-16-25)20-22-12-13-23-10-4-5-11-24(23)19-22/h1-13,19H,14-18,20H2/b9-6+
InChIKeyNJIYUFSFOSQQRR-RMKNXTFCSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
1-[(3-bromo-4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1069664
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327107
1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1067952
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzonitrile
CID 23965850
oxalic acid;4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
CID 163327121
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327108
1-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 2213235
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 1377016) is 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is C(=C/c1ccccc1)\CN1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is NJIYUFSFOSQQRR-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H26N2/c1-2-7-21(8-3-1)9-6-14-25-15-17-26(18-16-25)20-22-12-13-23-10-4-5-11-24(23)19-22/h1-13,19H,14-18,20H2/b9-6+.
What are the key properties of 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 342.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 1377016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).