1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine

C18H30N2 — CID 63158539

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1(CC)CCN(c2ccccc2C(C)NC)CC1
InChIInChI=1S/C18H30N2/c1-5-18(6-2)11-13-20(14-12-18)17-10-8-7-9-16(17)15(3)19-4/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyCQLCGDNPDVDOEV-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.37
Rot. Bonds5

About 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine (PubChem CID 63158539) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
PubChem CID63158539
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCC1(CC)CCN(c2ccccc2C(C)NC)CC1
InChIInChI=1S/C18H30N2/c1-5-18(6-2)11-13-20(14-12-18)17-10-8-7-9-16(17)15(3)19-4/h7-10,15,19H,5-6,11-14H2,1-4H3
InChIKeyCQLCGDNPDVDOEV-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 63534160
1-[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]ethanol
CID 106836301
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
5-(4,4-diethylpiperidin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79591200
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794357
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine (CID 63158539) is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine is CCC1(CC)CCN(c2ccccc2C(C)NC)CC1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is CQLCGDNPDVDOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-18(6-2)11-13-20(14-12-18)17-10-8-7-9-16(17)15(3)19-4/h7-10,15,19H,5-6,11-14H2,1-4H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine?
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 274.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 63158539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).