N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine

C12H26N2 — CID 123857151

IUPACN,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCCN(CC)CCN1CCCC(C)C1
InChIInChI=1S/C12H26N2/c1-4-13(5-2)9-10-14-8-6-7-12(3)11-14/h12H,4-11H2,1-3H3
InChIKeyZDNCDOKVDVKELD-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds5

About N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine

N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 123857151) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
PubChem CID123857151
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCCN(CC)CCN1CCCC(C)C1
InChIInChI=1S/C12H26N2/c1-4-13(5-2)9-10-14-8-6-7-12(3)11-14/h12H,4-11H2,1-3H3
InChIKeyZDNCDOKVDVKELD-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
CID 107913841
ethane;1-ethyl-3-methylpiperidine
CID 91361629
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
3-[1-[2-(diethylamino)ethyl]piperidin-3-yl]butanoic acid
CID 81047036
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
ethane;1-ethyl-3-methylazepane
CID 142283412
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine (CID 123857151) is N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine is CCN(CC)CCN1CCCC(C)C1.
What is the InChIKey of N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is ZDNCDOKVDVKELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-13(5-2)9-10-14-8-6-7-12(3)11-14/h12H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine?
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 123857151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).