1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol

C14H18FN3O — CID 82277631

IUPAC1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C14H18FN3O/c15-12-3-1-2-10-11(8-17-14(10)12)13(19)9-18-6-4-16-5-7-18/h1-3,8,13,16-17,19H,4-7,9H2
InChIKeyPBUVDPREKZRHDM-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.25
Rot. Bonds3

About 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol

1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol (PubChem CID 82277631) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol
PubChem CID82277631
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol
SMILESOC(CN1CCNCC1)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C14H18FN3O/c15-12-3-1-2-10-11(8-17-14(10)12)13(19)9-18-6-4-16-5-7-18/h1-3,8,13,16-17,19H,4-7,9H2
InChIKeyPBUVDPREKZRHDM-UHFFFAOYSA-N
XLogP1.25
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1H-indol-3-yl)-3-piperazin-1-ylpropan-1-one
CID 98033749
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 919244
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
1-(1-benzothiophen-3-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 67083410
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
2-piperazin-1-yl-1-(2,3,4-trichlorophenyl)ethanol
CID 3955467
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-2-ol
CID 82292226
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 50748235
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol (CID 82277631) is 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol is OC(CN1CCNCC1)c1c[nH]c2c(F)cccc12.
What is the InChIKey of 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol?
The InChIKey is PBUVDPREKZRHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-12-3-1-2-10-11(8-17-14(10)12)13(19)9-18-6-4-16-5-7-18/h1-3,8,13,16-17,19H,4-7,9H2.
What are the key properties of 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol?
1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol has a molecular weight of 263.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1H-indol-3-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 82277631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).