ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate

C16H22N2O3 — CID 107877861

IUPACethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCc3c(O)cccc32)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)18-10-8-17(9-11-18)14-7-6-13-12(14)4-3-5-15(13)19/h3-5,14,19H,2,6-11H2,1H3
InChIKeyABCFCZYKUDLQFO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.15
Rot. Bonds2

About ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate

ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate (PubChem CID 107877861) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate
PubChem CID107877861
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCc3c(O)cccc32)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)18-10-8-17(9-11-18)14-7-6-13-12(14)4-3-5-15(13)19/h3-5,14,19H,2,6-11H2,1H3
InChIKeyABCFCZYKUDLQFO-UHFFFAOYSA-N
XLogP2.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate 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

1-(4-ethylpiperidin-1-yl)-2,3-dihydro-1H-inden-4-ol
CID 82986053
ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 110400066
ethyl 4-[(1S,2E)-2-hydroxyiminocyclopentyl]piperazine-1-carboxylate
CID 98157881
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
1-[4-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 166341923
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
ethyl 4-[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 7246428
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
ethyl 4-[2-(4-tert-butylcyclohexyl)phenyl]piperazine-1-carboxylate
CID 59769450
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate (CID 107877861) is ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C2CCc3c(O)cccc32)CC1.
What is the InChIKey of ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate?
The InChIKey is ABCFCZYKUDLQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)18-10-8-17(9-11-18)14-7-6-13-12(14)4-3-5-15(13)19/h3-5,14,19H,2,6-11H2,1H3.
What are the key properties of ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate?
ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)piperazine-1-carboxylate is sourced from PubChem (CID 107877861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).