1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine

C30H35N3O — CID 23967992

IUPAC1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine
SMILESc1ccc(CCN2CCC(NCCc3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)cc1
InChIInChI=1S/C30H35N3O/c1-3-7-24(8-4-1)14-18-33-19-15-27(16-20-33)31-17-13-26-22-32-30-12-11-28(21-29(26)30)34-23-25-9-5-2-6-10-25/h1-12,21-22,27,31-32H,13-20,23H2
InChIKeyNWWIMLQRPOYGSS-UHFFFAOYSA-N
MW453.63 g/mol
LogP5.59
Rot. Bonds10

About 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine

1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine (PubChem CID 23967992) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine
PubChem CID23967992
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC Name1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine
SMILESc1ccc(CCN2CCC(NCCc3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)cc1
InChIInChI=1S/C30H35N3O/c1-3-7-24(8-4-1)14-18-33-19-15-27(16-20-33)31-17-13-26-22-32-30-12-11-28(21-29(26)30)34-23-25-9-5-2-6-10-25/h1-12,21-22,27,31-32H,13-20,23H2
InChIKeyNWWIMLQRPOYGSS-UHFFFAOYSA-N
XLogP5.59
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 15572651
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine
CID 141094834
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine
CID 6488130
3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole
CID 170864334
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
CID 70697319
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine (CID 23967992) is 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine is c1ccc(CCN2CCC(NCCc3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is NWWIMLQRPOYGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-3-7-24(8-4-1)14-18-33-19-15-27(16-20-33)31-17-13-26-22-32-30-12-11-28(21-29(26)30)34-23-25-9-5-2-6-10-25/h1-12,21-22,27,31-32H,13-20,23H2.
What are the key properties of 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine?
1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 453.63 g/mol, XLogP of 5.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 23967992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).