(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

C13H18N2O2 — CID 60818037

IUPAC(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-14-11-5-7-15(8-6-11)13(17)10-3-2-4-12(16)9-10/h2-4,9,11,14,16H,5-8H2,1H3
InChIKeySPOFLBILEJHOEB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds2

About (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone

(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 60818037) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID60818037
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C13H18N2O2/c1-14-11-5-7-15(8-6-11)13(17)10-3-2-4-12(16)9-10/h2-4,9,11,14,16H,5-8H2,1H3
InChIKeySPOFLBILEJHOEB-UHFFFAOYSA-N
XLogP1.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide
CID 146083702
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551682
(2,5-dihydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 107721207

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 60818037) is (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is SPOFLBILEJHOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-11-5-7-15(8-6-11)13(17)10-3-2-4-12(16)9-10/h2-4,9,11,14,16H,5-8H2,1H3.
What are the key properties of (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60818037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).