1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine

C13H27N3O — CID 103339443

IUPAC1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine
SMILESC=CCN(CCOC)CCN1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-6-15(11-12-17-2)9-10-16-7-4-13(14)5-8-16/h3,13H,1,4-12,14H2,2H3
InChIKeySORVYQKOQYTERD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.54
Rot. Bonds8

About 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine

1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine (PubChem CID 103339443) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine
PubChem CID103339443
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine
SMILESC=CCN(CCOC)CCN1CCC(N)CC1
InChIInChI=1S/C13H27N3O/c1-3-6-15(11-12-17-2)9-10-16-7-4-13(14)5-8-16/h3,13H,1,4-12,14H2,2H3
InChIKeySORVYQKOQYTERD-UHFFFAOYSA-N
XLogP0.54
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-methylpiperidin-3-amine
CID 169661443
1-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900346
4-Piperidin-4-ylmorpholine;prop-1-ene
CID 153630611
1-(2-Prop-2-enoxyethyl)piperidin-4-amine
CID 156882716
2-morpholin-4-yl-N,N-bis(prop-2-enyl)butan-1-amine
CID 173237434
Ethane;1-(1-methoxypropan-2-yl)-3-methylpiperidin-4-amine;molecular hydrogen;prop-1-ene
CID 176945999
N-[(3R)-2,3-dihydrofuran-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 178157129
3-[4-(2-Methoxyethyl)piperazin-1-yl]pentan-1-amine
CID 43253185
3-[4-(2-Ethoxyethyl)piperazin-1-yl]pentan-1-amine
CID 43457114
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
N-(2-ethoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43778419

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine (CID 103339443) is 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine is C=CCN(CCOC)CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine?
The InChIKey is SORVYQKOQYTERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-6-15(11-12-17-2)9-10-16-7-4-13(14)5-8-16/h3,13H,1,4-12,14H2,2H3.
What are the key properties of 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine?
1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(prop-2-enyl)amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 103339443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).