5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol

C19H30N2O3 — CID 70709010

IUPAC5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)cc1O
InChIInChI=1S/C19H30N2O3/c1-24-19-6-5-15(9-18(19)23)10-21-12-16(17(13-21)14-22)11-20-7-3-2-4-8-20/h5-6,9,16-17,22-23H,2-4,7-8,10-14H2,1H3/t16-,17-/m1/s1
InChIKeyGNTREFMCNFPLAQ-IAGOWNOFSA-N
MW334.46 g/mol
LogP1.93
Rot. Bonds6

About 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol

5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol (PubChem CID 70709010) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
PubChem CID70709010
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)cc1O
InChIInChI=1S/C19H30N2O3/c1-24-19-6-5-15(9-18(19)23)10-21-12-16(17(13-21)14-22)11-20-7-3-2-4-8-20/h5-6,9,16-17,22-23H,2-4,7-8,10-14H2,1H3/t16-,17-/m1/s1
InChIKeyGNTREFMCNFPLAQ-IAGOWNOFSA-N
XLogP1.93
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

[(3S,4S)-1-(naphthalen-2-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133112262
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2-methoxyphenol
CID 82982928
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-2-methoxyphenol
CID 84594406
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120909606
[1-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 78085255
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983417
(3S,4R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134697893
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenol
CID 82980525

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol (CID 70709010) is 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol is COc1ccc(CN2C[C@@H](CN3CCCCC3)[C@@H](CO)C2)cc1O.
What is the InChIKey of 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is GNTREFMCNFPLAQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-24-19-6-5-15(9-18(19)23)10-21-12-16(17(13-21)14-22)11-20-7-3-2-4-8-20/h5-6,9,16-17,22-23H,2-4,7-8,10-14H2,1H3/t16-,17-/m1/s1.
What are the key properties of 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol?
5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol has a molecular weight of 334.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 70709010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).