2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine

C28H32N4 — CID 129193663

IUPAC2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccccc2)c2cc(CN3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C28H32N4/c29-13-14-32-22-27(25-9-5-2-6-10-25)26-19-24(11-12-28(26)32)21-31-17-15-30(16-18-31)20-23-7-3-1-4-8-23/h1-12,19,22H,13-18,20-21,29H2
InChIKeyWTPHOPNUBAPHPH-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.58
Rot. Bonds7

About 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine

2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine (PubChem CID 129193663) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine
PubChem CID129193663
Molecular FormulaC28H32N4
Molecular Weight424.59 g/mol
Exact Mass424.26
IUPAC Name2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine
SMILESNCCn1cc(-c2ccccc2)c2cc(CN3CCN(Cc4ccccc4)CC3)ccc21
InChIInChI=1S/C28H32N4/c29-13-14-32-22-27(25-9-5-2-6-10-25)26-19-24(11-12-28(26)32)21-31-17-15-30(16-18-31)20-23-7-3-1-4-8-23/h1-12,19,22H,13-18,20-21,29H2
InChIKeyWTPHOPNUBAPHPH-UHFFFAOYSA-N
XLogP4.58
TPSA37.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129185779
3-[3-(2-chlorophenyl)-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 129185729
3-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-4-yl)indol-1-yl]propan-1-amine
CID 129185791
4-[1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]indol-3-yl]aniline
CID 129193503
3-[5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129185835
3-[5-(piperidin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129193607
3-(3-phenylindol-1-yl)propan-1-amine
CID 15134122
5-[5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]-2-methylpentan-2-amine
CID 129185898
1-butyl-5-[[4-[(2-chloro-3-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 129193489
3-[5-[[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propan-1-amine
CID 129193608
1-butyl-5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;3-methylbutan-1-amine;propan-1-amine
CID 145323415
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine?
The IUPAC name of 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine (CID 129193663) is 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine?
The canonical SMILES for 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine is NCCn1cc(-c2ccccc2)c2cc(CN3CCN(Cc4ccccc4)CC3)ccc21.
What is the InChIKey of 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine?
The InChIKey is WTPHOPNUBAPHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4/c29-13-14-32-22-27(25-9-5-2-6-10-25)26-19-24(11-12-28(26)32)21-31-17-15-30(16-18-31)20-23-7-3-1-4-8-23/h1-12,19,22H,13-18,20-21,29H2.
What are the key properties of 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine?
2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine has a molecular weight of 424.59 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-benzylpiperazin-1-yl)methyl]-3-phenylindol-1-yl]ethanamine is sourced from PubChem (CID 129193663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).