1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one

C16H32N2O — CID 119648376

IUPAC1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
SMILESCCNCC1CCN(C(=O)CCCC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-17-13-14-8-11-18(12-9-14)15(19)7-6-10-16(2,3)4/h14,17H,5-13H2,1-4H3
InChIKeyORFXJAUBIFENCV-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.05
Rot. Bonds6

About 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one

1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one (PubChem CID 119648376) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
PubChem CID119648376
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
SMILESCCNCC1CCN(C(=O)CCCC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-5-17-13-14-8-11-18(12-9-14)15(19)7-6-10-16(2,3)4/h14,17H,5-13H2,1-4H3
InChIKeyORFXJAUBIFENCV-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119645132
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
5-[4-(ethylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide;hydrochloride
CID 119647811
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119646474
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119647608
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
1-[4-(ethylaminomethyl)piperidin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 119645010
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
The IUPAC name of 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one (CID 119648376) is 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one.
What is the SMILES notation for 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
The canonical SMILES for 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one is CCNCC1CCN(C(=O)CCCC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
The InChIKey is ORFXJAUBIFENCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-17-13-14-8-11-18(12-9-14)15(19)7-6-10-16(2,3)4/h14,17H,5-13H2,1-4H3.
What are the key properties of 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one?
1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one is sourced from PubChem (CID 119648376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).