1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone

C13H26N2O — CID 63846150

IUPAC1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
SMILESCCN(CC)CCN1CCC(C(C)=O)CC1
InChIInChI=1S/C13H26N2O/c1-4-14(5-2)10-11-15-8-6-13(7-9-15)12(3)16/h13H,4-11H2,1-3H3
InChIKeyBURNLPRPVJDHKU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds6

About 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone

1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone (PubChem CID 63846150) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
PubChem CID63846150
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
SMILESCCN(CC)CCN1CCC(C(C)=O)CC1
InChIInChI=1S/C13H26N2O/c1-4-14(5-2)10-11-15-8-6-13(7-9-15)12(3)16/h13H,4-11H2,1-3H3
InChIKeyBURNLPRPVJDHKU-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(diethylamino)ethyl]piperidin-4-yl]methanol
CID 62020074
1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde
CID 62654444
ethane;1-[1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]piperidin-4-yl]ethanone
CID 169158837
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
1-(1-but-3-ynylpiperidin-4-yl)ethanone
CID 63846870
1-[1-(3-methylbut-3-enyl)piperidin-4-yl]ethanone
CID 114472635
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
ethane;1-(1-propylpyrrolidin-3-yl)ethanone
CID 91068645
1-[1-(3-hydroxy-3-methylbutyl)piperidin-4-yl]ethanone
CID 79355582
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid
CID 6484124
potassium;ethane;2-[ethyl(propyl)amino]ethanolate;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 169268303

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone (CID 63846150) is 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone is CCN(CC)CCN1CCC(C(C)=O)CC1.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone?
The InChIKey is BURNLPRPVJDHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-14(5-2)10-11-15-8-6-13(7-9-15)12(3)16/h13H,4-11H2,1-3H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone?
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone has a molecular weight of 226.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 63846150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).