4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol

C23H28FN3O — CID 10407490

IUPAC4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol
SMILESOC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H28FN3O/c24-20-6-7-22-21(14-20)19(16-26-22)8-11-27-12-9-23(28,10-13-27)17-25-15-18-4-2-1-3-5-18/h1-7,14,16,25-26,28H,8-13,15,17H2
InChIKeyHSZOPHZEDKYUMI-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.47
Rot. Bonds7

About 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol

4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol (PubChem CID 10407490) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol
PubChem CID10407490
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol
SMILESOC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C23H28FN3O/c24-20-6-7-22-21(14-20)19(16-26-22)8-11-27-12-9-23(28,10-13-27)17-25-15-18-4-2-1-3-5-18/h1-7,14,16,25-26,28H,8-13,15,17H2
InChIKeyHSZOPHZEDKYUMI-UHFFFAOYSA-N
XLogP3.47
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(naphthalen-2-ylsulfinylmethyl)piperidin-4-ol
CID 10366515
1-benzyl-4-ethynyl-3-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-4-ol
CID 162755258
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
CID 170040522
3-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 58656074
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-[4-[(3S)-3-benzylpiperidin-1-yl]butyl]-5-fluoro-1H-indole
CID 10133399
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751
N-benzyl-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine
CID 10386282
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
3-benzyl-5-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 67394553
4-[[3-[2-[(3S)-3-[(benzylamino)methyl]pyrrolidin-1-yl]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70104584
4-(imidazol-1-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-ol
CID 171913881

Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol (CID 10407490) is 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol is OC1(CNCc2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol?
The InChIKey is HSZOPHZEDKYUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c24-20-6-7-22-21(14-20)19(16-26-22)8-11-27-12-9-23(28,10-13-27)17-25-15-18-4-2-1-3-5-18/h1-7,14,16,25-26,28H,8-13,15,17H2.
What are the key properties of 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol?
4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol has a molecular weight of 381.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 10407490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).