2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol

C18H27N3O — CID 146041334

IUPAC2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol
SMILESCN(CCn1ccc2ccccc21)CC(O)C1CCNCC1
InChIInChI=1S/C18H27N3O/c1-20(14-18(22)16-6-9-19-10-7-16)12-13-21-11-8-15-4-2-3-5-17(15)21/h2-5,8,11,16,18-19,22H,6-7,9-10,12-14H2,1H3
InChIKeyFOTVRFPSZUEDGU-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol

2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol (PubChem CID 146041334) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol
PubChem CID146041334
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol
SMILESCN(CCn1ccc2ccccc21)CC(O)C1CCNCC1
InChIInChI=1S/C18H27N3O/c1-20(14-18(22)16-6-9-19-10-7-16)12-13-21-11-8-15-4-2-3-5-17(15)21/h2-5,8,11,16,18-19,22H,6-7,9-10,12-14H2,1H3
InChIKeyFOTVRFPSZUEDGU-UHFFFAOYSA-N
XLogP1.93
TPSA40.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-4-ylmethyl)indole
CID 18538689
N-(2-indol-1-ylethyl)-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 72868306
2-[imidazo[1,2-a]pyridin-3-ylmethyl(methyl)amino]-1-piperidin-4-ylethanol
CID 154568473
1-cyclopropyl-2-[methyl(2-phenylethyl)amino]ethanol
CID 65486700
2-[[(2-hydroxy-2-piperidin-4-ylethyl)-methylamino]methyl]-3H-quinazolin-4-one;dihydrochloride
CID 154924279
N-cyclohexyl-3-indol-1-yl-N-methylpropanamide
CID 84557875
N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95123127
1-hydroxy-1-(2-indol-1-ylethyl)urea
CID 19887629
1-[2-(4-methylpiperidin-1-yl)ethyl]indole
CID 22989568
(2S,3S)-1,4-di(indol-1-yl)butane-2,3-diol
CID 131853579
N-(2-indol-1-ylethyl)-N-methyl-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide;hydrochloride
CID 154900380
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475

Frequently Asked Questions

What is the IUPAC name of 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol?
The IUPAC name of 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol (CID 146041334) is 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol.
What is the SMILES notation for 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol?
The canonical SMILES for 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol is CN(CCn1ccc2ccccc21)CC(O)C1CCNCC1.
What is the InChIKey of 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol?
The InChIKey is FOTVRFPSZUEDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20(14-18(22)16-6-9-19-10-7-16)12-13-21-11-8-15-4-2-3-5-17(15)21/h2-5,8,11,16,18-19,22H,6-7,9-10,12-14H2,1H3.
What are the key properties of 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol?
2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol has a molecular weight of 301.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-indol-1-ylethyl(methyl)amino]-1-piperidin-4-ylethanol is sourced from PubChem (CID 146041334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).