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

C16H26N2 — CID 62936574

IUPAC1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1N1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-13(17-4)14-7-5-6-8-15(14)18-11-9-16(2,3)10-12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyYVGIGQPRTXBENS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.59
Rot. Bonds3

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

1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine (PubChem CID 62936574) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
PubChem CID62936574
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccccc1N1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2/c1-13(17-4)14-7-5-6-8-15(14)18-11-9-16(2,3)10-12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyYVGIGQPRTXBENS-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
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
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62994127
3,3-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidine
CID 174262939
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
CID 79678667
N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine
CID 79678434
1-[2-(3,3-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
CID 61432642
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 60974257
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]-N-ethylethanamine
CID 107455826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine (CID 62936574) is 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine is CNC(C)c1ccccc1N1CCC(C)(C)CC1.
What is the InChIKey of 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is YVGIGQPRTXBENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(17-4)14-7-5-6-8-15(14)18-11-9-16(2,3)10-12-18/h5-8,13,17H,9-12H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine?
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 246.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 62936574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).