5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole

C15H22ClN3 — CID 70121154

IUPAC5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole
SMILESCC1CN(c2cc3c(cc2Cl)CCN3)C[C@H](C)N1C
InChIInChI=1S/C15H22ClN3/c1-10-8-19(9-11(2)18(10)3)15-7-14-12(4-5-17-14)6-13(15)16/h6-7,10-11,17H,4-5,8-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyNMLAQIMQWNXQMF-VUWPPUDQSA-N
MW279.81 g/mol
LogP2.84
Rot. Bonds1

About 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole

5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole (PubChem CID 70121154) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole
PubChem CID70121154
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole
SMILESCC1CN(c2cc3c(cc2Cl)CCN3)C[C@H](C)N1C
InChIInChI=1S/C15H22ClN3/c1-10-8-19(9-11(2)18(10)3)15-7-14-12(4-5-17-14)6-13(15)16/h6-7,10-11,17H,4-5,8-9H2,1-3H3/t10-,11?/m0/s1
InChIKeyNMLAQIMQWNXQMF-VUWPPUDQSA-N
XLogP2.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole (CID 70121154) is 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole is CC1CN(c2cc3c(cc2Cl)CCN3)C[C@H](C)N1C.
What is the InChIKey of 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole?
The InChIKey is NMLAQIMQWNXQMF-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-10-8-19(9-11(2)18(10)3)15-7-14-12(4-5-17-14)6-13(15)16/h6-7,10-11,17H,4-5,8-9H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole?
5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole has a molecular weight of 279.81 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 70121154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).