[3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol

C24H34F2N2O — CID 21313412

IUPAC[3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2c(F)cc(F)cc2c1CCCN1CCCCC1CC1CCCCC1
InChIInChI=1S/C24H34F2N2O/c25-18-14-21-20(23(16-29)27-24(21)22(26)15-18)10-6-12-28-11-5-4-9-19(28)13-17-7-2-1-3-8-17/h14-15,17,19,27,29H,1-13,16H2
InChIKeyHXFZRQLKSAEKBC-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.70
Rot. Bonds7

About [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol

[3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol (PubChem CID 21313412) has the molecular formula C24H34F2N2O and a molecular weight of 404.55 g/mol. Its IUPAC name is [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol.

Molecular Properties

Compound Name[3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol
PubChem CID21313412
Molecular FormulaC24H34F2N2O
Molecular Weight404.55 g/mol
Exact Mass404.26
IUPAC Name[3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol
SMILESOCc1[nH]c2c(F)cc(F)cc2c1CCCN1CCCCC1CC1CCCCC1
InChIInChI=1S/C24H34F2N2O/c25-18-14-21-20(23(16-29)27-24(21)22(26)15-18)10-6-12-28-11-5-4-9-19(28)13-17-7-2-1-3-8-17/h14-15,17,19,27,29H,1-13,16H2
InChIKeyHXFZRQLKSAEKBC-UHFFFAOYSA-N
XLogP5.70
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol with MolForge

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Related Compounds

2-(2-(5-Ethenyl-1-Azabicyclo(2.2.2)Octan-2-Yl)-1H-Indol-3-Yl)Ethanol
CID 521233
(1H-indol-2-yl)methanol
CID 98783
5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride
CID 142752446
Cinchonamine
CID 94151
1-(2-methyl-1H-indol-3-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 659336
1-(4-Fluorophenyl)-4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-ol
CID 24156283
[6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
CID 118721190
[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol
CID 118721193
[3-(4-fluorophenyl)-1-(hydroxymethyl)-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]methanol
CID 137635411
Tangutorine
CID 15406418
5-fluoro-3-[(3E)-5-fluoro-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 142752447
5-fluoro-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 142752500

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol?
The IUPAC name of [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol (CID 21313412) is [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol.
What is the SMILES notation for [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol?
The canonical SMILES for [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol is OCc1[nH]c2c(F)cc(F)cc2c1CCCN1CCCCC1CC1CCCCC1.
What is the InChIKey of [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol?
The InChIKey is HXFZRQLKSAEKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N2O/c25-18-14-21-20(23(16-29)27-24(21)22(26)15-18)10-6-12-28-11-5-4-9-19(28)13-17-7-2-1-3-8-17/h14-15,17,19,27,29H,1-13,16H2.
What are the key properties of [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol?
[3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol has a molecular weight of 404.55 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-(cyclohexylmethyl)piperidin-1-yl]propyl]-5,7-difluoro-1H-indol-2-yl]methanol is sourced from PubChem (CID 21313412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).