6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole

C22H33N3 — CID 168756097

IUPAC6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole
SMILESCC(C)N1CCN(c2cc(C(C)(C)C)cc3c2ccn3C2CC2)CC1
InChIInChI=1S/C22H33N3/c1-16(2)23-10-12-24(13-11-23)20-14-17(22(3,4)5)15-21-19(20)8-9-25(21)18-6-7-18/h8-9,14-16,18H,6-7,10-13H2,1-5H3
InChIKeyVPCBOMTUCCJTCY-UHFFFAOYSA-N
MW339.53 g/mol
LogP4.80
Rot. Bonds3

About 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole

6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole (PubChem CID 168756097) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole
PubChem CID168756097
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole
SMILESCC(C)N1CCN(c2cc(C(C)(C)C)cc3c2ccn3C2CC2)CC1
InChIInChI=1S/C22H33N3/c1-16(2)23-10-12-24(13-11-23)20-14-17(22(3,4)5)15-21-19(20)8-9-25(21)18-6-7-18/h8-9,14-16,18H,6-7,10-13H2,1-5H3
InChIKeyVPCBOMTUCCJTCY-UHFFFAOYSA-N
XLogP4.80
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
CID 69030309
5-fluoro-2-(4-propan-2-ylpiperazin-1-yl)benzaldehyde
CID 43585389
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
4,6-difluoro-1-(4-methylcyclohexyl)indole
CID 118162022
4-methyl-3-(4-propan-2-ylpiperazin-1-yl)aniline
CID 55091747
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine
CID 155363516
6-tert-butyl-N-cyclobutyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 130260837
(4-propan-2-ylpiperazin-1-yl)-[1-(1-propylpiperidin-4-yl)indol-5-yl]methanone
CID 68621990
N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43585498
2-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]ethanol
CID 117374519
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole?
The IUPAC name of 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole (CID 168756097) is 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole.
What is the SMILES notation for 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole?
The canonical SMILES for 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole is CC(C)N1CCN(c2cc(C(C)(C)C)cc3c2ccn3C2CC2)CC1.
What is the InChIKey of 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole?
The InChIKey is VPCBOMTUCCJTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-16(2)23-10-12-24(13-11-23)20-14-17(22(3,4)5)15-21-19(20)8-9-25(21)18-6-7-18/h8-9,14-16,18H,6-7,10-13H2,1-5H3.
What are the key properties of 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole?
6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole has a molecular weight of 339.53 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopropyl-4-(4-propan-2-ylpiperazin-1-yl)indole is sourced from PubChem (CID 168756097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).