(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 106835108

IUPAC(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-13(16)14(10)15(19)17-8-6-12(7-9-17)11(2)18/h3-5,11-12,18H,6-9,16H2,1-2H3
InChIKeyYQGPKLXWIIPFRM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds2

About (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone

(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 106835108) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID106835108
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C15H22N2O2/c1-10-4-3-5-13(16)14(10)15(19)17-8-6-12(7-9-17)11(2)18/h3-5,11-12,18H,6-9,16H2,1-2H3
InChIKeyYQGPKLXWIIPFRM-UHFFFAOYSA-N
XLogP1.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
(2-amino-6-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504969
(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
1-[1-(2-amino-6-methylphenyl)piperidin-4-yl]ethanol
CID 106835317
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(4-amino-3-bromophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835796
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-nitrophenyl)methanone
CID 63595851
(2-amino-6-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210103

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 106835108) is (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is Cc1cccc(N)c1C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is YQGPKLXWIIPFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-3-5-13(16)14(10)15(19)17-8-6-12(7-9-17)11(2)18/h3-5,11-12,18H,6-9,16H2,1-2H3.
What are the key properties of (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
(2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106835108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).