1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

C19H26N2O2 — CID 70707879

IUPAC1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2ccc3occc3c2)C1
InChIInChI=1S/C19H26N2O2/c22-19(14-20-8-1-2-9-20)7-3-10-21(15-19)13-16-4-5-18-17(12-16)6-11-23-18/h4-6,11-12,22H,1-3,7-10,13-15H2
InChIKeyYCGIJDXYZMYTQL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.86
Rot. Bonds4

About 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 70707879) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID70707879
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2ccc3occc3c2)C1
InChIInChI=1S/C19H26N2O2/c22-19(14-20-8-1-2-9-20)7-3-10-21(15-19)13-16-4-5-18-17(12-16)6-11-23-18/h4-6,11-12,22H,1-3,7-10,13-15H2
InChIKeyYCGIJDXYZMYTQL-UHFFFAOYSA-N
XLogP2.86
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 70783462
(5R)-9-(1-benzofuran-5-ylmethyl)-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719928
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70770688
1-[(1-ethylindol-6-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70762800
1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine
CID 56909995
1-(1-benzofuran-5-ylmethyl)-4-(2-methoxyethyl)piperidine-4-carboxylic acid
CID 166268022
(3S)-3-ethyl-1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 99935983
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70762270
1-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70713874
1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70755003
1-[[3-(5-methylfuran-2-yl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 131897295

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 70707879) is 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is OC1(CN2CCCC2)CCCN(Cc2ccc3occc3c2)C1.
What is the InChIKey of 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is YCGIJDXYZMYTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(14-20-8-1-2-9-20)7-3-10-21(15-19)13-16-4-5-18-17(12-16)6-11-23-18/h4-6,11-12,22H,1-3,7-10,13-15H2.
What are the key properties of 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol has a molecular weight of 314.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 70707879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).