1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine

C13H29N3 — CID 63854459

IUPAC1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(CCN(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-14-12(2)13-7-6-8-16(11-13)10-9-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyMBTJRUYZAOUVLG-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine

1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine (PubChem CID 63854459) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
PubChem CID63854459
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCN(CCN(C)C)C1
InChIInChI=1S/C13H29N3/c1-5-14-12(2)13-7-6-8-16(11-13)10-9-15(3)4/h12-14H,5-11H2,1-4H3
InChIKeyMBTJRUYZAOUVLG-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883
N-ethyl-1-[1-[2-(3-methylbutoxy)ethyl]piperidin-3-yl]ethanamine
CID 63854629
N-[1-[1-[2-(diethylamino)ethyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63852890
1-[1-(2-tert-butylsulfonylethyl)piperidin-3-yl]-N-ethylethanamine
CID 106721484
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
N-ethyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]ethanamine
CID 65159249
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
CID 104746000
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine (CID 63854459) is 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine is CCNC(C)C1CCCN(CCN(C)C)C1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine?
The InChIKey is MBTJRUYZAOUVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-14-12(2)13-7-6-8-16(11-13)10-9-15(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine?
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine is sourced from PubChem (CID 63854459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).