(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H24N2O2 — CID 102704877

IUPAC(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCCCC2CCO)cc1N
InChIInChI=1S/C16H24N2O2/c1-11-9-12(2)15(17)10-14(11)16(20)18-7-4-3-5-13(18)6-8-19/h9-10,13,19H,3-8,17H2,1-2H3
InChIKeySCHKBDFKIIQPQU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds3

About (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 102704877) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID102704877
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CCCCC2CCO)cc1N
InChIInChI=1S/C16H24N2O2/c1-11-9-12(2)15(17)10-14(11)16(20)18-7-4-3-5-13(18)6-8-19/h9-10,13,19H,3-8,17H2,1-2H3
InChIKeySCHKBDFKIIQPQU-UHFFFAOYSA-N
XLogP2.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
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

(5-amino-2,4-dimethylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210096
(5-amino-2-bromo-4-fluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62814891
1-(5-amino-2,4-dimethylbenzoyl)piperidine-2-carboxamide
CID 102705184
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(5-bromo-3-methylfuran-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 110895265
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
CID 90757369
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091726

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 102704877) is (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CCCCC2CCO)cc1N.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is SCHKBDFKIIQPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-12(2)15(17)10-14(11)16(20)18-7-4-3-5-13(18)6-8-19/h9-10,13,19H,3-8,17H2,1-2H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 102704877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).