[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate

C17H22N2O4 — CID 70459591

IUPAC[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1CN(CCc2c[nH]c3ccccc23)CC[C@@H]1O
InChIInChI=1S/C17H22N2O4/c1-22-17(21)23-16-11-19(9-7-15(16)20)8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,10,15-16,18,20H,6-9,11H2,1H3/t15-,16-/m0/s1
InChIKeyOSPOQINTTNGGPD-HOTGVXAUSA-N
MW318.37 g/mol
LogP1.93
Rot. Bonds4

About [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate

[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate (PubChem CID 70459591) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate.

Molecular Properties

Compound Name[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
PubChem CID70459591
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
SMILESCOC(=O)O[C@H]1CN(CCc2c[nH]c3ccccc23)CC[C@@H]1O
InChIInChI=1S/C17H22N2O4/c1-22-17(21)23-16-11-19(9-7-15(16)20)8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,10,15-16,18,20H,6-9,11H2,1H3/t15-,16-/m0/s1
InChIKeyOSPOQINTTNGGPD-HOTGVXAUSA-N
XLogP1.93
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] carbonate
CID 70459487
[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
CID 70460995
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
N-[3-(1H-indol-3-yl)propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71925653
(3R,4S)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 11645106
(3R,4R)-3-butyl-1-[2-(1H-indol-3-yl)ethyl]piperidin-4-amine
CID 68688509
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 165485504
ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
CID 171080006
1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
CID 24733059
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
The IUPAC name of [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate (CID 70459591) is [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate.
What is the SMILES notation for [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
The canonical SMILES for [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate is COC(=O)O[C@H]1CN(CCc2c[nH]c3ccccc23)CC[C@@H]1O.
What is the InChIKey of [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
The InChIKey is OSPOQINTTNGGPD-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-17(21)23-16-11-19(9-7-15(16)20)8-6-12-10-18-14-5-3-2-4-13(12)14/h2-5,10,15-16,18,20H,6-9,11H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate?
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate has a molecular weight of 318.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate is sourced from PubChem (CID 70459591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).