1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C22H30N2O2 — CID 131897295

IUPAC1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCc1ccc(-c2cccc(CN3CCC(O)(CN4CCCC4)CC3)c2)o1
InChIInChI=1S/C22H30N2O2/c1-18-7-8-21(26-18)20-6-4-5-19(15-20)16-23-13-9-22(25,10-14-23)17-24-11-2-3-12-24/h4-8,15,25H,2-3,9-14,16-17H2,1H3
InChIKeyWGZGJBOYZHSBPH-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.68
Rot. Bonds5

About 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 131897295) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID131897295
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCc1ccc(-c2cccc(CN3CCC(O)(CN4CCCC4)CC3)c2)o1
InChIInChI=1S/C22H30N2O2/c1-18-7-8-21(26-18)20-6-4-5-19(15-20)16-23-13-9-22(25,10-14-23)17-24-11-2-3-12-24/h4-8,15,25H,2-3,9-14,16-17H2,1H3
InChIKeyWGZGJBOYZHSBPH-UHFFFAOYSA-N
XLogP3.68
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97192045
4-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,4-oxazepan-6-ol
CID 70788847
2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 77088274
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
(3R,4R)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134714581
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[[3-(5-methylfuran-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide
CID 72919150
4-[(2,4-dimethylphenoxy)methyl]-1-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-ol
CID 155993036
N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129456420

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 131897295) is 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is Cc1ccc(-c2cccc(CN3CCC(O)(CN4CCCC4)CC3)c2)o1.
What is the InChIKey of 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is WGZGJBOYZHSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18-7-8-21(26-18)20-6-4-5-19(15-20)16-23-13-9-22(25,10-14-23)17-24-11-2-3-12-24/h4-8,15,25H,2-3,9-14,16-17H2,1H3.
What are the key properties of 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 354.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 131897295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).