2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride

C14H30Cl2N2O2 — CID 131858012

IUPAC2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
SMILESCCN(CC)CCOC(=O)CCC1CCNCC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-3-16(4-2)11-12-18-14(17)6-5-13-7-9-15-10-8-13;;/h13,15H,3-12H2,1-2H3;2*1H
InChIKeyACYNESKSFPXNEB-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.49
Rot. Bonds8

About 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride

2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride (PubChem CID 131858012) has the molecular formula C14H30Cl2N2O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
PubChem CID131858012
Molecular FormulaC14H30Cl2N2O2
Molecular Weight329.31 g/mol
Exact Mass328.17
IUPAC Name2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride
SMILESCCN(CC)CCOC(=O)CCC1CCNCC1.Cl.Cl
InChIInChI=1S/C14H28N2O2.2ClH/c1-3-16(4-2)11-12-18-14(17)6-5-13-7-9-15-10-8-13;;/h13,15H,3-12H2,1-2H3;2*1H
InChIKeyACYNESKSFPXNEB-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 54603666
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
2-piperidin-4-ylethyl butanoate
CID 174737441
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
N,N-diethyl-2-(2-piperidin-4-ylethoxy)ethanamine
CID 15057325
2-piperidin-4-ylethyl propanoate
CID 53408774
N-[3-(diethylamino)propyl]-N-ethyl-3-piperidin-4-ylpropanamide
CID 102992986
2-(diethylamino)ethyl N-piperidin-4-ylcarbamate
CID 15676972
4-oxo-4-(2-piperidin-4-ylethoxy)butanoic acid
CID 175797428
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride (CID 131858012) is 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride is CCN(CC)CCOC(=O)CCC1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride?
The InChIKey is ACYNESKSFPXNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.2ClH/c1-3-16(4-2)11-12-18-14(17)6-5-13-7-9-15-10-8-13;;/h13,15H,3-12H2,1-2H3;2*1H.
What are the key properties of 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride?
2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride has a molecular weight of 329.31 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-piperidin-4-ylpropanoate;dihydrochloride is sourced from PubChem (CID 131858012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).