3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole

C22H27N3 — CID 56652457

IUPAC3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole
SMILESCc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C22H27N3/c1-19-17-25(22-10-6-5-9-21(19)22)18-24-15-13-23(14-16-24)12-11-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3
InChIKeyAEYSRYMQRKDECJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.77
Rot. Bonds5

About 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole

3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole (PubChem CID 56652457) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole.

Molecular Properties

Compound Name3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole
PubChem CID56652457
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole
SMILESCc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C22H27N3/c1-19-17-25(22-10-6-5-9-21(19)22)18-24-15-13-23(14-16-24)12-11-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3
InChIKeyAEYSRYMQRKDECJ-UHFFFAOYSA-N
XLogP3.77
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
The IUPAC name of 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole (CID 56652457) is 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole.
What is the SMILES notation for 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
The canonical SMILES for 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole is Cc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
The InChIKey is AEYSRYMQRKDECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-19-17-25(22-10-6-5-9-21(19)22)18-24-15-13-23(14-16-24)12-11-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3.
What are the key properties of 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole?
3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole has a molecular weight of 333.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-(2-phenylethyl)piperazin-1-yl]methyl]indole is sourced from PubChem (CID 56652457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).