1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol

C22H28N2O2 — CID 46967108

IUPAC1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCCOc1cc2c(cc1CN1CCC(O)(c3cccnc3)CC1)CCC2
InChIInChI=1S/C22H28N2O2/c1-2-26-21-14-18-6-3-5-17(18)13-19(21)16-24-11-8-22(25,9-12-24)20-7-4-10-23-15-20/h4,7,10,13-15,25H,2-3,5-6,8-9,11-12,16H2,1H3
InChIKeyPOBMRFGGLDAPCL-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.45
Rot. Bonds5

About 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 46967108) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID46967108
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCCOc1cc2c(cc1CN1CCC(O)(c3cccnc3)CC1)CCC2
InChIInChI=1S/C22H28N2O2/c1-2-26-21-14-18-6-3-5-17(18)13-19(21)16-24-11-8-22(25,9-12-24)20-7-4-10-23-15-20/h4,7,10,13-15,25H,2-3,5-6,8-9,11-12,16H2,1H3
InChIKeyPOBMRFGGLDAPCL-UHFFFAOYSA-N
XLogP3.45
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol 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-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967110
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
(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
1-[1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137338112
1-[(2-pyrazol-1-ylphenyl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967113
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
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-(5-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064106
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77096460
(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134704446

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 46967108) is 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is CCOc1cc2c(cc1CN1CCC(O)(c3cccnc3)CC1)CCC2.
What is the InChIKey of 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is POBMRFGGLDAPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-26-21-14-18-6-3-5-17(18)13-19(21)16-24-11-8-22(25,9-12-24)20-7-4-10-23-15-20/h4,7,10,13-15,25H,2-3,5-6,8-9,11-12,16H2,1H3.
What are the key properties of 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 352.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 46967108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).