2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine

C13H29N3 — CID 63760471

IUPAC2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
SMILESCCN(CC)CCN1CCCCC1CCN
InChIInChI=1S/C13H29N3/c1-3-15(4-2)11-12-16-10-6-5-7-13(16)8-9-14/h13H,3-12,14H2,1-2H3
InChIKeyCWPMJGQHAVTEDN-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds7

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

2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine (PubChem CID 63760471) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
PubChem CID63760471
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
SMILESCCN(CC)CCN1CCCCC1CCN
InChIInChI=1S/C13H29N3/c1-3-15(4-2)11-12-16-10-6-5-7-13(16)8-9-14/h13H,3-12,14H2,1-2H3
InChIKeyCWPMJGQHAVTEDN-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
[(2R)-1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 115277584
4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
CID 19845936
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
N-[[(2R)-1-(2-aminoethyl)piperidin-2-yl]methyl]-N-propylpropan-1-amine
CID 92982304
2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
CID 84685954
2-[1-(3,3-difluorobutyl)azepan-2-yl]ethanamine
CID 84697916
1-[1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]propan-2-one
CID 79546576
2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]ethanamine
CID 106455021
N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
CID 79667623

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine (CID 63760471) is 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine is CCN(CC)CCN1CCCCC1CCN.
What is the InChIKey of 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is CWPMJGQHAVTEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-3-15(4-2)11-12-16-10-6-5-7-13(16)8-9-14/h13H,3-12,14H2,1-2H3.
What are the key properties of 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine?
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63760471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).