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

C23H29N3 — CID 19610450

IUPAC3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
SMILESc1ccc(CCN2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H29N3/c1-2-7-20(8-3-1)12-14-26-17-15-25(16-18-26)13-6-9-21-19-24-23-11-5-4-10-22(21)23/h1-5,7-8,10-11,19,24H,6,9,12-18H2
InChIKeyBOVHKFHXRBDYBF-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.96
Rot. Bonds7

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

3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole (PubChem CID 19610450) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
PubChem CID19610450
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
SMILESc1ccc(CCN2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H29N3/c1-2-7-20(8-3-1)12-14-26-17-15-25(16-18-26)13-6-9-21-19-24-23-11-5-4-10-22(21)23/h1-5,7-8,10-11,19,24H,6,9,12-18H2
InChIKeyBOVHKFHXRBDYBF-UHFFFAOYSA-N
XLogP3.96
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 7038412
3-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 92650578
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
3-[3-[4-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 6990058
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 39985541
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole (CID 19610450) is 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole is c1ccc(CCN2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole?
The InChIKey is BOVHKFHXRBDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-2-7-20(8-3-1)12-14-26-17-15-25(16-18-26)13-6-9-21-19-24-23-11-5-4-10-22(21)23/h1-5,7-8,10-11,19,24H,6,9,12-18H2.
What are the key properties of 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole?
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole has a molecular weight of 347.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 19610450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).