N,N-dimethylethanamine;1-ethyl-4-methylpiperidine

C12H28N2 — CID 157328296

IUPACN,N-dimethylethanamine;1-ethyl-4-methylpiperidine
SMILESCCN(C)C.CCN1CCC(C)CC1
InChIInChI=1S/C8H17N.C4H11N/c1-3-9-6-4-8(2)5-7-9;1-4-5(2)3/h8H,3-7H2,1-2H3;4H2,1-3H3
InChIKeyBEZGMLWFHQZPKP-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.31
Rot. Bonds2

About N,N-dimethylethanamine;1-ethyl-4-methylpiperidine

N,N-dimethylethanamine;1-ethyl-4-methylpiperidine (PubChem CID 157328296) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N-dimethylethanamine;1-ethyl-4-methylpiperidine.

Molecular Properties

Compound NameN,N-dimethylethanamine;1-ethyl-4-methylpiperidine
PubChem CID157328296
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N-dimethylethanamine;1-ethyl-4-methylpiperidine
SMILESCCN(C)C.CCN1CCC(C)CC1
InChIInChI=1S/C8H17N.C4H11N/c1-3-9-6-4-8(2)5-7-9;1-4-5(2)3/h8H,3-7H2,1-2H3;4H2,1-3H3
InChIKeyBEZGMLWFHQZPKP-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-Methylpiperidine-4-methylamine
CID 81574
1,4-Dimethylpiperidine
CID 136514
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Ethyl-3-methylpiperidine
CID 102760
Piperidine, 1-(2-methylpropyl)-
CID 139128
4-(2-Diethylaminoethyl)piperidine
CID 296294
Dimethyl(2-(piperidin-4-yl)ethyl)amine
CID 1415681
2-(1-Ethylpiperidin-4-yl)ethan-1-amine
CID 21643902

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;1-ethyl-4-methylpiperidine?
The IUPAC name of N,N-dimethylethanamine;1-ethyl-4-methylpiperidine (CID 157328296) is N,N-dimethylethanamine;1-ethyl-4-methylpiperidine.
What is the SMILES notation for N,N-dimethylethanamine;1-ethyl-4-methylpiperidine?
The canonical SMILES for N,N-dimethylethanamine;1-ethyl-4-methylpiperidine is CCN(C)C.CCN1CCC(C)CC1.
What is the InChIKey of N,N-dimethylethanamine;1-ethyl-4-methylpiperidine?
The InChIKey is BEZGMLWFHQZPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C4H11N/c1-3-9-6-4-8(2)5-7-9;1-4-5(2)3/h8H,3-7H2,1-2H3;4H2,1-3H3.
What are the key properties of N,N-dimethylethanamine;1-ethyl-4-methylpiperidine?
N,N-dimethylethanamine;1-ethyl-4-methylpiperidine has a molecular weight of 200.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;1-ethyl-4-methylpiperidine is sourced from PubChem (CID 157328296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).