1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol

C19H29NO3 — CID 137338112

IUPAC1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol
SMILESCCOc1cc2c(cc1CN1CCC(C(O)CO)CC1)CCC2
InChIInChI=1S/C19H29NO3/c1-2-23-19-11-16-5-3-4-15(16)10-17(19)12-20-8-6-14(7-9-20)18(22)13-21/h10-11,14,18,21-22H,2-9,12-13H2,1H3
InChIKeyITDWVTCDGROHLO-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.14
Rot. Bonds6

About 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol

1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol (PubChem CID 137338112) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol
PubChem CID137338112
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol
SMILESCCOc1cc2c(cc1CN1CCC(C(O)CO)CC1)CCC2
InChIInChI=1S/C19H29NO3/c1-2-23-19-11-16-5-3-4-15(16)10-17(19)12-20-8-6-14(7-9-20)18(22)13-21/h10-11,14,18,21-22H,2-9,12-13H2,1H3
InChIKeyITDWVTCDGROHLO-UHFFFAOYSA-N
XLogP2.14
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol 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-[1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137339902
[(3aS,7aR)-2-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811956
(1R,5S)-3-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 77089383
1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967108
1-[4-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 155498928
(1S,5S)-3-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-(5-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064106
3-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-(5-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216494
(1S,5S)-3-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-(3-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064064
4-[(7-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721569
2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 170888274
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 111114080
7-ethoxy-3-methyl-6-(piperidin-1-ylmethyl)-2-propyl-3,4-dihydro-1H-isoquinoline
CID 112721505

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol (CID 137338112) is 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol is CCOc1cc2c(cc1CN1CCC(C(O)CO)CC1)CCC2.
What is the InChIKey of 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
The InChIKey is ITDWVTCDGROHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-2-23-19-11-16-5-3-4-15(16)10-17(19)12-20-8-6-14(7-9-20)18(22)13-21/h10-11,14,18,21-22H,2-9,12-13H2,1H3.
What are the key properties of 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol?
1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol has a molecular weight of 319.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 137338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).