[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

C20H31NO3 — CID 97125314

IUPAC[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(Cc2cc3c(cc2OC)CCC3)C1
InChIInChI=1S/C20H31NO3/c1-23-10-8-20(15-22)7-4-9-21(14-20)13-18-11-16-5-3-6-17(16)12-19(18)24-2/h11-12,22H,3-10,13-15H2,1-2H3/t20-/m1/s1
InChIKeyYIDXYGKWFODPSM-HXUWFJFHSA-N
MW333.47 g/mol
LogP2.79
Rot. Bonds7

About [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 97125314) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID97125314
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCC[C@]1(CO)CCCN(Cc2cc3c(cc2OC)CCC3)C1
InChIInChI=1S/C20H31NO3/c1-23-10-8-20(15-22)7-4-9-21(14-20)13-18-11-16-5-3-6-17(16)12-19(18)24-2/h11-12,22H,3-10,13-15H2,1-2H3/t20-/m1/s1
InChIKeyYIDXYGKWFODPSM-HXUWFJFHSA-N
XLogP2.79
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72874241
[1-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863231
[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97116898
[(3R)-3-(2-methoxyethyl)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
CID 97146559
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
[1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72863715
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97124457

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 97125314) is [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCC[C@]1(CO)CCCN(Cc2cc3c(cc2OC)CCC3)C1.
What is the InChIKey of [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is YIDXYGKWFODPSM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31NO3/c1-23-10-8-20(15-22)7-4-9-21(14-20)13-18-11-16-5-3-6-17(16)12-19(18)24-2/h11-12,22H,3-10,13-15H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 333.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97125314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).