1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine

C12H27N3 — CID 114507992

IUPAC1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
SMILESCCC1CN(CCN(C)C)CCC1NC
InChIInChI=1S/C12H27N3/c1-5-11-10-15(9-8-14(3)4)7-6-12(11)13-2/h11-13H,5-10H2,1-4H3
InChIKeyBDVZKTDELWFWIA-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine

1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine (PubChem CID 114507992) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
PubChem CID114507992
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine
SMILESCCC1CN(CCN(C)C)CCC1NC
InChIInChI=1S/C12H27N3/c1-5-11-10-15(9-8-14(3)4)7-6-12(11)13-2/h11-13H,5-10H2,1-4H3
InChIKeyBDVZKTDELWFWIA-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
2,4,6-Trimethylpiperidine
CID 89562
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
6-Methyl-6,9-diazaspiro[4.5]decane
CID 28901865
9-Methyl-6,9-diazaspiro[4.5]decane
CID 52416411
3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
1-(Cyclohexylmethyl)piperazine
CID 2735885
N,N-dimethyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
CID 3018747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine (CID 114507992) is 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine is CCC1CN(CCN(C)C)CCC1NC.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine?
The InChIKey is BDVZKTDELWFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-11-10-15(9-8-14(3)4)7-6-12(11)13-2/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine?
1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 114507992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).