(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone

C14H20N2O2 — CID 63210549

IUPAC(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-11(3-4-13(10)15-2)14(18)16-7-5-12(17)6-8-16/h3-4,9,12,15,17H,5-8H2,1-2H3
InChIKeyOKIQLNBDLNZHCY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.63
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone

(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone (PubChem CID 63210549) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
PubChem CID63210549
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-11(3-4-13(10)15-2)14(18)16-7-5-12(17)6-8-16/h3-4,9,12,15,17H,5-8H2,1-2H3
InChIKeyOKIQLNBDLNZHCY-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 63214056
[3-methyl-4-(methylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 55163246
(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63209664
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
(4-hydroxypiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 9245657
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
[4-(ethylamino)-3-methylphenyl]-(4-ethylpiperidin-1-yl)methanone
CID 63213953
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 102936157

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone (CID 63210549) is (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CCC(O)CC2)cc1C.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
The InChIKey is OKIQLNBDLNZHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-11(3-4-13(10)15-2)14(18)16-7-5-12(17)6-8-16/h3-4,9,12,15,17H,5-8H2,1-2H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone?
(4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 63210549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).