[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone

C18H28N2O — CID 80550728

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCCNCC1CCN(C(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O/c1-5-19-12-16-6-8-20(9-7-16)18(21)17-14(3)10-13(2)11-15(17)4/h10-11,16,19H,5-9,12H2,1-4H3
InChIKeyBCDYPYLHDRLGDW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.07
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 80550728) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID80550728
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCCNCC1CCN(C(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O/c1-5-19-12-16-6-8-20(9-7-16)18(21)17-14(3)10-13(2)11-15(17)4/h10-11,16,19H,5-9,12H2,1-4H3
InChIKeyBCDYPYLHDRLGDW-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 119645835
N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 119990592
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
(4,5-dibromothiophen-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552409
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone (CID 80550728) is [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone is CCNCC1CCN(C(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is BCDYPYLHDRLGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-19-12-16-6-8-20(9-7-16)18(21)17-14(3)10-13(2)11-15(17)4/h10-11,16,19H,5-9,12H2,1-4H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 288.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 80550728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).