1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine

C17H28N2 — CID 117021673

IUPAC1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine
SMILESCCc1ccc(N2CC(CNC)CCC2(C)C)cc1
InChIInChI=1S/C17H28N2/c1-5-14-6-8-16(9-7-14)19-13-15(12-18-4)10-11-17(19,2)3/h6-9,15,18H,5,10-13H2,1-4H3
InChIKeyQHLDNRFWUGKNRI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds4

About 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine

1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 117021673) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine
PubChem CID117021673
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine
SMILESCCc1ccc(N2CC(CNC)CCC2(C)C)cc1
InChIInChI=1S/C17H28N2/c1-5-14-6-8-16(9-7-14)19-13-15(12-18-4)10-11-17(19,2)3/h6-9,15,18H,5,10-13H2,1-4H3
InChIKeyQHLDNRFWUGKNRI-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1,6,6-trimethylpiperidin-3-yl)methanamine
CID 117021633
1-[1-(4-ethylphenyl)aziridin-2-yl]-N-methylmethanamine
CID 117010183
1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020110
2-(4-ethylphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540932
1-(1-cyclopropyl-6,6-dimethylpiperidin-3-yl)-N-methylmethanamine
CID 117021637
1-(4-chlorophenyl)-6,6-dimethylpiperidin-3-ol
CID 117020860
2-[1-(4-ethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanamine
CID 117020563
1-(6,6-dimethyl-1-prop-2-enylpiperidin-3-yl)-N-methylmethanamine
CID 117021638
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
1-(4-ethylphenyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020276
(4-ethylphenyl)-(5-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115276194

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine (CID 117021673) is 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine is CCc1ccc(N2CC(CNC)CCC2(C)C)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is QHLDNRFWUGKNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-14-6-8-16(9-7-14)19-13-15(12-18-4)10-11-17(19,2)3/h6-9,15,18H,5,10-13H2,1-4H3.
What are the key properties of 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine?
1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-6,6-dimethylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 117021673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).