(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone

C13H18N2O3 — CID 107690384

IUPAC(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESCC1CC(N)CN(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C13H18N2O3/c1-8-5-9(14)7-15(6-8)13(18)12-10(16)3-2-4-11(12)17/h2-4,8-9,16-17H,5-7,14H2,1H3
InChIKeyBKTZVYQODGPMFY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone

(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone (PubChem CID 107690384) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
PubChem CID107690384
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESCC1CC(N)CN(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C13H18N2O3/c1-8-5-9(14)7-15(6-8)13(18)12-10(16)3-2-4-11(12)17/h2-4,8-9,16-17H,5-7,14H2,1H3
InChIKeyBKTZVYQODGPMFY-UHFFFAOYSA-N
XLogP0.91
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82816396
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 166245161
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 898638
(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
(3-amino-5-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 79993620
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
(3-amino-5-methylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 79994422

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone (CID 107690384) is (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone is CC1CC(N)CN(C(=O)c2c(O)cccc2O)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The InChIKey is BKTZVYQODGPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-5-9(14)7-15(6-8)13(18)12-10(16)3-2-4-11(12)17/h2-4,8-9,16-17H,5-7,14H2,1H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 107690384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).