1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole

C22H34N2 — CID 129188459

IUPAC1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole
SMILESCC(C)C1CCC(N2CCC(N3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C22H34N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,17-18,20-21H,7-16H2,1-2H3
InChIKeyFALYKCYWERAVPH-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.73
Rot. Bonds3

About 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole

1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole (PubChem CID 129188459) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole
PubChem CID129188459
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole
SMILESCC(C)C1CCC(N2CCC(N3CCc4ccccc43)CC2)CC1
InChIInChI=1S/C22H34N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,17-18,20-21H,7-16H2,1-2H3
InChIKeyFALYKCYWERAVPH-UHFFFAOYSA-N
XLogP4.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole (CID 129188459) is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole is CC(C)C1CCC(N2CCC(N3CCc4ccccc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole?
The InChIKey is FALYKCYWERAVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-17(2)18-7-9-20(10-8-18)23-14-12-21(13-15-23)24-16-11-19-5-3-4-6-22(19)24/h3-6,17-18,20-21H,7-16H2,1-2H3.
What are the key properties of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole?
1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole has a molecular weight of 326.53 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 129188459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).