1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole

C17H21FN2 — CID 175901283

IUPAC1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole
SMILESFc1cc(N2CCCCC2)c2c(ccn2CC2CC2)c1
InChIInChI=1S/C17H21FN2/c18-15-10-14-6-9-20(12-13-4-5-13)17(14)16(11-15)19-7-2-1-3-8-19/h6,9-11,13H,1-5,7-8,12H2
InChIKeyQWYDFUYQOZPVLO-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.18
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole

1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole (PubChem CID 175901283) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole
PubChem CID175901283
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole
SMILESFc1cc(N2CCCCC2)c2c(ccn2CC2CC2)c1
InChIInChI=1S/C17H21FN2/c18-15-10-14-6-9-20(12-13-4-5-13)17(14)16(11-15)19-7-2-1-3-8-19/h6,9-11,13H,1-5,7-8,12H2
InChIKeyQWYDFUYQOZPVLO-UHFFFAOYSA-N
XLogP4.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)piperidine
CID 22638080
1-[1-(cyclopropylmethyl)indol-7-yl]ethanamine
CID 115106526
1-(cyclobutylmethyl)indol-6-amine
CID 65457807
[5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methanamine
CID 63008035
1-(cyclopentylmethyl)indol-7-amine
CID 114935809
2,4-difluoro-6-piperidin-1-ylaniline
CID 115506411
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
6-fluoro-2-(piperidin-4-ylmethyl)isoquinolin-1-one
CID 82151065
1-(cyclopropylmethyl)-6-(oxolan-2-ylmethyl)pyrrolo[2,3-c]pyridin-7-one
CID 53164582
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
CID 147882960
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole?
The IUPAC name of 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole (CID 175901283) is 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole?
The canonical SMILES for 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole is Fc1cc(N2CCCCC2)c2c(ccn2CC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole?
The InChIKey is QWYDFUYQOZPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c18-15-10-14-6-9-20(12-13-4-5-13)17(14)16(11-15)19-7-2-1-3-8-19/h6,9-11,13H,1-5,7-8,12H2.
What are the key properties of 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole?
1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole has a molecular weight of 272.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-fluoro-7-piperidin-1-ylindole is sourced from PubChem (CID 175901283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).