3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole

C20H23N3 — CID 563075

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole
SMILESc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-17(7-3-1)15-22-10-12-23(13-11-22)16-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,21H,10-13,15-16H2
InChIKeyYHZKIEWEQQRAHY-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.49
Rot. Bonds4

About 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole

3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 563075) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole
PubChem CID563075
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole
SMILESc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-17(7-3-1)15-22-10-12-23(13-11-22)16-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,21H,10-13,15-16H2
InChIKeyYHZKIEWEQQRAHY-UHFFFAOYSA-N
XLogP3.49
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole (CID 563075) is 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole is c1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is YHZKIEWEQQRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-2-6-17(7-3-1)15-22-10-12-23(13-11-22)16-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,21H,10-13,15-16H2.
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole?
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 305.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 563075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).