[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone

C20H25NO4 — CID 24793137

IUPAC[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(CO)(Cc3ccccc3C)C2)o1
InChIInChI=1S/C20H25NO4/c1-15-6-3-4-7-16(15)12-20(14-22)10-5-11-21(13-20)19(23)17-8-9-18(24-2)25-17/h3-4,6-9,22H,5,10-14H2,1-2H3
InChIKeyXGVPMLHZYRIOOO-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.05
Rot. Bonds5

About [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone

[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone (PubChem CID 24793137) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
PubChem CID24793137
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(CO)(Cc3ccccc3C)C2)o1
InChIInChI=1S/C20H25NO4/c1-15-6-3-4-7-16(15)12-20(14-22)10-5-11-21(13-20)19(23)17-8-9-18(24-2)25-17/h3-4,6-9,22H,5,10-14H2,1-2H3
InChIKeyXGVPMLHZYRIOOO-UHFFFAOYSA-N
XLogP3.05
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
CID 25278388
1-[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 45208804
ethyl (3S)-1-(5-methoxyfuran-2-carbonyl)-3-(2-phenylethyl)piperidine-3-carboxylate
CID 42516014
[1-[(2-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45213151
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 97142480
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 26410395
(5-chlorofuran-2-yl)-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97150459
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 56918920
[3-[(2-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methanol
CID 45249436
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629
2-chloro-4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 28954788

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The IUPAC name of [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone (CID 24793137) is [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone is COc1ccc(C(=O)N2CCCC(CO)(Cc3ccccc3C)C2)o1.
What is the InChIKey of [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
The InChIKey is XGVPMLHZYRIOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15-6-3-4-7-16(15)12-20(14-22)10-5-11-21(13-20)19(23)17-8-9-18(24-2)25-17/h3-4,6-9,22H,5,10-14H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone?
[3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone has a molecular weight of 343.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone is sourced from PubChem (CID 24793137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).