(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

C14H20N2O2 — CID 107672067

IUPAC(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C(N)C2)ccc1O
InChIInChI=1S/C14H20N2O2/c1-9-5-6-16(8-12(9)15)14(18)11-3-4-13(17)10(2)7-11/h3-4,7,9,12,17H,5-6,8,15H2,1-2H3
InChIKeyIHPBHLFDMSHCRN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.51
Rot. Bonds1

About (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 107672067) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID107672067
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C(N)C2)ccc1O
InChIInChI=1S/C14H20N2O2/c1-9-5-6-16(8-12(9)15)14(18)11-3-4-13(17)10(2)7-11/h3-4,7,9,12,17H,5-6,8,15H2,1-2H3
InChIKeyIHPBHLFDMSHCRN-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
(3-hydroxyazetidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103957501
(3-amino-4-methylpiperidin-1-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82879192
(3-amino-4-methylpiperidin-1-yl)-(3-bromo-4-chlorophenyl)methanone
CID 114024781
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727567
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(3-amino-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629082

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 107672067) is (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCC(C)C(N)C2)ccc1O.
What is the InChIKey of (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is IHPBHLFDMSHCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-5-6-16(8-12(9)15)14(18)11-3-4-13(17)10(2)7-11/h3-4,7,9,12,17H,5-6,8,15H2,1-2H3.
What are the key properties of (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
(3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 107672067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).