4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole

C17H23N3 — CID 171277795

IUPAC4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole
SMILESc1cc([C@H](CC2CC2)N2CCNCC2)c2cc[nH]c2c1
InChIInChI=1S/C17H23N3/c1-2-15(14-6-7-19-16(14)3-1)17(12-13-4-5-13)20-10-8-18-9-11-20/h1-3,6-7,13,17-19H,4-5,8-12H2/t17-/m0/s1
InChIKeySUIAUXLOCNOTPG-KRWDZBQOSA-N
MW269.39 g/mol
LogP2.91
Rot. Bonds4

About 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole (PubChem CID 171277795) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole.

Molecular Properties

Compound Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole
PubChem CID171277795
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole
SMILESc1cc([C@H](CC2CC2)N2CCNCC2)c2cc[nH]c2c1
InChIInChI=1S/C17H23N3/c1-2-15(14-6-7-19-16(14)3-1)17(12-13-4-5-13)20-10-8-18-9-11-20/h1-3,6-7,13,17-19H,4-5,8-12H2/t17-/m0/s1
InChIKeySUIAUXLOCNOTPG-KRWDZBQOSA-N
XLogP2.91
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290393
4-[(1R)-1-piperazin-1-ylhexyl]-1H-indole
CID 171307823
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine
CID 171168874
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
1-[(1R)-2-cyclopropyl-1-(3-fluoro-2-methylphenyl)ethyl]piperazine
CID 171169448
1-[(1S)-1-(3-bromo-2-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171276706
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277772
1-[(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171172358
1-[(1S)-2-cyclopropyl-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171165589

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole?
The IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole (CID 171277795) is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole.
What is the SMILES notation for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole?
The canonical SMILES for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole is c1cc([C@H](CC2CC2)N2CCNCC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole?
The InChIKey is SUIAUXLOCNOTPG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-15(14-6-7-19-16(14)3-1)17(12-13-4-5-13)20-10-8-18-9-11-20/h1-3,6-7,13,17-19H,4-5,8-12H2/t17-/m0/s1.
What are the key properties of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole?
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole has a molecular weight of 269.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-1H-indole is sourced from PubChem (CID 171277795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).