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

C12H26N2 — CID 168861294

IUPACN,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine
SMILESCCN(CC)C(C)N1CCCC(C)C1
InChIInChI=1S/C12H26N2/c1-5-13(6-2)12(4)14-9-7-8-11(3)10-14/h11-12H,5-10H2,1-4H3
InChIKeyOEJNDRYZIZJTML-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.41
Rot. Bonds4

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

N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 168861294) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine
PubChem CID168861294
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine
SMILESCCN(CC)C(C)N1CCCC(C)C1
InChIInChI=1S/C12H26N2/c1-5-13(6-2)12(4)14-9-7-8-11(3)10-14/h11-12H,5-10H2,1-4H3
InChIKeyOEJNDRYZIZJTML-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
N-ethyl-4-(3-methylpiperidin-1-yl)pentan-2-amine
CID 64705920
2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887280
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
3-amino-2-(3-methylpiperidin-1-yl)propanal
CID 174430520
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile
CID 130735374
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437982
3-(3-methylpiperidin-1-yl)pentanethioamide
CID 43367645
N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
CID 62437767
(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
CID 42309455

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine (CID 168861294) is N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine is CCN(CC)C(C)N1CCCC(C)C1.
What is the InChIKey of N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is OEJNDRYZIZJTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-13(6-2)12(4)14-9-7-8-11(3)10-14/h11-12H,5-10H2,1-4H3.
What are the key properties of N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine?
N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 168861294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).