1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone

C18H26N2O2 — CID 166623031

IUPAC1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCC(Cc2cccc(O)c2)C1
InChIInChI=1S/C18H26N2O2/c21-17-6-4-5-15(12-17)11-16-7-10-20(13-16)18(22)14-19-8-2-1-3-9-19/h4-6,12,16,21H,1-3,7-11,13-14H2
InChIKeyAHMJPOWBHOEFEZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone

1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 166623031) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID166623031
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)N1CCC(Cc2cccc(O)c2)C1
InChIInChI=1S/C18H26N2O2/c21-17-6-4-5-15(12-17)11-16-7-10-20(13-16)18(22)14-19-8-2-1-3-9-19/h4-6,12,16,21H,1-3,7-11,13-14H2
InChIKeyAHMJPOWBHOEFEZ-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 95711699
2-(azepan-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97132995
1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
N-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-4-oxobutyl]acetamide
CID 166616269
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
CID 146087611
2-ethoxy-1-[4-[3-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 166619515
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
formic acid;[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone
CID 171710353
2-(benzotriazol-2-yl)-1-[(3R)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97208320
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone (CID 166623031) is 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)N1CCC(Cc2cccc(O)c2)C1.
What is the InChIKey of 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is AHMJPOWBHOEFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17-6-4-5-15(12-17)11-16-7-10-20(13-16)18(22)14-19-8-2-1-3-9-19/h4-6,12,16,21H,1-3,7-11,13-14H2.
What are the key properties of 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone?
1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 166623031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).