1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine

C18H30N2 — CID 115995307

IUPAC1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1N1CC(C)CCC1C
InChIInChI=1S/C18H30N2/c1-5-17(19-6-2)16-9-7-8-10-18(16)20-13-14(3)11-12-15(20)4/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3
InChIKeySJVKSQPOQDVSQL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.37
Rot. Bonds5

About 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine

1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine (PubChem CID 115995307) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
PubChem CID115995307
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccccc1N1CC(C)CCC1C
InChIInChI=1S/C18H30N2/c1-5-17(19-6-2)16-9-7-8-10-18(16)20-13-14(3)11-12-15(20)4/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3
InChIKeySJVKSQPOQDVSQL-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

N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995156
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228
1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 115995389
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
1-[2-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115994916
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995308
1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 103958704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine (CID 115995307) is 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccccc1N1CC(C)CCC1C.
What is the InChIKey of 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is SJVKSQPOQDVSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-17(19-6-2)16-9-7-8-10-18(16)20-13-14(3)11-12-15(20)4/h7-10,14-15,17,19H,5-6,11-13H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine?
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine 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-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115995307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).