[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol

C19H29N3O — CID 131933824

IUPAC[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol
SMILESCCn1ccc2ccc(CNCCN3CCCCC3CO)cc21
InChIInChI=1S/C19H29N3O/c1-2-21-11-8-17-7-6-16(13-19(17)21)14-20-9-12-22-10-4-3-5-18(22)15-23/h6-8,11,13,18,20,23H,2-5,9-10,12,14-15H2,1H3
InChIKeyJJRIGIYNHSAVNK-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.60
Rot. Bonds7

About [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol

[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol (PubChem CID 131933824) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol
PubChem CID131933824
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol
SMILESCCn1ccc2ccc(CNCCN3CCCCC3CO)cc21
InChIInChI=1S/C19H29N3O/c1-2-21-11-8-17-7-6-16(13-19(17)21)14-20-9-12-22-10-4-3-5-18(22)15-23/h6-8,11,13,18,20,23H,2-5,9-10,12,14-15H2,1H3
InChIKeyJJRIGIYNHSAVNK-UHFFFAOYSA-N
XLogP2.60
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131936846
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[1-[2-[(2-cyclohexylpyrimidin-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131894162
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
CID 62121881
N-[[1-(cyclopropylmethoxymethyl)indol-6-yl]methyl]propan-1-amine
CID 106930226
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
CID 65165636
[1-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylamino]ethyl]piperidin-2-yl]methanol
CID 131930656
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol (CID 131933824) is [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol is CCn1ccc2ccc(CNCCN3CCCCC3CO)cc21.
What is the InChIKey of [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol?
The InChIKey is JJRIGIYNHSAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-21-11-8-17-7-6-16(13-19(17)21)14-20-9-12-22-10-4-3-5-18(22)15-23/h6-8,11,13,18,20,23H,2-5,9-10,12,14-15H2,1H3.
What are the key properties of [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol?
[1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol has a molecular weight of 315.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(1-ethylindol-6-yl)methylamino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 131933824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).