2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine

C19H38N2 — CID 123592367

IUPAC2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine
SMILESCCC1CCN(C)C(C2CC(C)CC(CC(C)C)N2C)C1
InChIInChI=1S/C19H38N2/c1-7-16-8-9-20(5)18(13-16)19-12-15(4)11-17(21(19)6)10-14(2)3/h14-19H,7-13H2,1-6H3
InChIKeyZCELNFJBGXDFEN-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.25
Rot. Bonds4

About 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine

2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine (PubChem CID 123592367) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine
PubChem CID123592367
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine
SMILESCCC1CCN(C)C(C2CC(C)CC(CC(C)C)N2C)C1
InChIInChI=1S/C19H38N2/c1-7-16-8-9-20(5)18(13-16)19-12-15(4)11-17(21(19)6)10-14(2)3/h14-19H,7-13H2,1-6H3
InChIKeyZCELNFJBGXDFEN-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethyl-1-methylpiperidin-2-yl)methanol
CID 170083810
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906
(2S)-1,4-dimethyl-2-prop-2-enylpiperidine
CID 174063231
1-methyl-4-(2-methylpropyl)azepane
CID 123252209
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
CID 142908728
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
[4-ethyl-1-(2-propan-2-ylcyclohexyl)piperidin-2-yl]methanamine
CID 103351790
2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
(2R)-1-methyl-2-(2-methylpentyl)azetidine
CID 155094740
N,1-dimethyl-2-(2-methylpropyl)pyrrolidin-3-amine
CID 83846196
(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane
CID 170928344

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine?
The IUPAC name of 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine (CID 123592367) is 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine.
What is the SMILES notation for 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine?
The canonical SMILES for 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine is CCC1CCN(C)C(C2CC(C)CC(CC(C)C)N2C)C1.
What is the InChIKey of 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine?
The InChIKey is ZCELNFJBGXDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-7-16-8-9-20(5)18(13-16)19-12-15(4)11-17(21(19)6)10-14(2)3/h14-19H,7-13H2,1-6H3.
What are the key properties of 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine?
2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine has a molecular weight of 294.53 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methylpiperidin-2-yl)-1,4-dimethyl-6-(2-methylpropyl)piperidine is sourced from PubChem (CID 123592367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).