1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole

C22H32N2 — CID 129188443

IUPAC1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
SMILESCC(C)C1CCC(N2CCC(n3ccc4ccccc43)CC2)CC1
InChIInChI=1S/C22H32N2/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/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3
InChIKeyRUVSOGDMGUPNJT-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.49
Rot. Bonds3

About 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole

1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole (PubChem CID 129188443) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
PubChem CID129188443
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
SMILESCC(C)C1CCC(N2CCC(n3ccc4ccccc43)CC2)CC1
InChIInChI=1S/C22H32N2/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/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3
InChIKeyRUVSOGDMGUPNJT-UHFFFAOYSA-N
XLogP5.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.49
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]indole?
The IUPAC name of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole (CID 129188443) is 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole.
What is the SMILES notation for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The canonical SMILES for 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole is CC(C)C1CCC(N2CCC(n3ccc4ccccc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The InChIKey is RUVSOGDMGUPNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/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/h3-6,11,16-18,20-21H,7-10,12-15H2,1-2H3.
What are the key properties of 1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole has a molecular weight of 324.51 g/mol, XLogP of 5.49, 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]indole is sourced from PubChem (CID 129188443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).