2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole

C27H28N2 — CID 10091189

IUPAC2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole
SMILESc1ccc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C27H28N2/c1-3-9-21(10-4-1)15-18-29-19-16-22(17-20-29)26-24-13-7-8-14-25(24)28-27(26)23-11-5-2-6-12-23/h1-14,22,28H,15-20H2
InChIKeyMONKRYYJEIHBRU-UHFFFAOYSA-N
MW380.54 g/mol
LogP6.26
Rot. Bonds5

About 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole

2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole (PubChem CID 10091189) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole
PubChem CID10091189
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole
SMILESc1ccc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C27H28N2/c1-3-9-21(10-4-1)15-18-29-19-16-22(17-20-29)26-24-13-7-8-14-25(24)28-27(26)23-11-5-2-6-12-23/h1-14,22,28H,15-20H2
InChIKeyMONKRYYJEIHBRU-UHFFFAOYSA-N
XLogP6.26
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole (CID 10091189) is 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole is c1ccc(CCN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole?
The InChIKey is MONKRYYJEIHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-3-9-21(10-4-1)15-18-29-19-16-22(17-20-29)26-24-13-7-8-14-25(24)28-27(26)23-11-5-2-6-12-23/h1-14,22,28H,15-20H2.
What are the key properties of 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole?
2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole has a molecular weight of 380.54 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 10091189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).