3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol

C23H30N2O — CID 22038400

IUPAC3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol
SMILESCC(O)C(Cc1ccccc1)C1(N2CCc3ccccc32)CCNCC1
InChIInChI=1S/C23H30N2O/c1-18(26)21(17-19-7-3-2-4-8-19)23(12-14-24-15-13-23)25-16-11-20-9-5-6-10-22(20)25/h2-10,18,21,24,26H,11-17H2,1H3
InChIKeyQAQKXHAKNUYIPO-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.41
Rot. Bonds5

About 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol

3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol (PubChem CID 22038400) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol
PubChem CID22038400
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol
SMILESCC(O)C(Cc1ccccc1)C1(N2CCc3ccccc32)CCNCC1
InChIInChI=1S/C23H30N2O/c1-18(26)21(17-19-7-3-2-4-8-19)23(12-14-24-15-13-23)25-16-11-20-9-5-6-10-22(20)25/h2-10,18,21,24,26H,11-17H2,1H3
InChIKeyQAQKXHAKNUYIPO-UHFFFAOYSA-N
XLogP3.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol?
The IUPAC name of 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol (CID 22038400) is 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol.
What is the SMILES notation for 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol?
The canonical SMILES for 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol is CC(O)C(Cc1ccccc1)C1(N2CCc3ccccc32)CCNCC1.
What is the InChIKey of 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol?
The InChIKey is QAQKXHAKNUYIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18(26)21(17-19-7-3-2-4-8-19)23(12-14-24-15-13-23)25-16-11-20-9-5-6-10-22(20)25/h2-10,18,21,24,26H,11-17H2,1H3.
What are the key properties of 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol?
3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol has a molecular weight of 350.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydroindol-1-yl)piperidin-4-yl]-4-phenylbutan-2-ol is sourced from PubChem (CID 22038400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).