4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole

C16H20FN3 — CID 150968246

IUPAC4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole
SMILESFc1cccc2[nH]cc([C@@H]3C[C@H]3CN3CCNCC3)c12
InChIInChI=1S/C16H20FN3/c17-14-2-1-3-15-16(14)13(9-19-15)12-8-11(12)10-20-6-4-18-5-7-20/h1-3,9,11-12,18-19H,4-8,10H2/t11-,12+/m0/s1
InChIKeyLNOBWZICMCNKNT-NWDGAFQWSA-N
MW273.35 g/mol
LogP2.32
Rot. Bonds3

About 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole

4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole (PubChem CID 150968246) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole.

Molecular Properties

Compound Name4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole
PubChem CID150968246
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC Name4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole
SMILESFc1cccc2[nH]cc([C@@H]3C[C@H]3CN3CCNCC3)c12
InChIInChI=1S/C16H20FN3/c17-14-2-1-3-15-16(14)13(9-19-15)12-8-11(12)10-20-6-4-18-5-7-20/h1-3,9,11-12,18-19H,4-8,10H2/t11-,12+/m0/s1
InChIKeyLNOBWZICMCNKNT-NWDGAFQWSA-N
XLogP2.32
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole?
The IUPAC name of 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole (CID 150968246) is 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole.
What is the SMILES notation for 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole?
The canonical SMILES for 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole is Fc1cccc2[nH]cc([C@@H]3C[C@H]3CN3CCNCC3)c12.
What is the InChIKey of 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole?
The InChIKey is LNOBWZICMCNKNT-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H20FN3/c17-14-2-1-3-15-16(14)13(9-19-15)12-8-11(12)10-20-6-4-18-5-7-20/h1-3,9,11-12,18-19H,4-8,10H2/t11-,12+/m0/s1.
What are the key properties of 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole?
4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole has a molecular weight of 273.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(1R,2R)-2-(piperazin-1-ylmethyl)cyclopropyl]-1H-indole is sourced from PubChem (CID 150968246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).