N-(2-but-3-enoxyethyl)piperidin-4-amine

C11H22N2O — CID 106397170

IUPACN-(2-but-3-enoxyethyl)piperidin-4-amine
SMILESC=CCCOCCNC1CCNCC1
InChIInChI=1S/C11H22N2O/c1-2-3-9-14-10-8-13-11-4-6-12-7-5-11/h2,11-13H,1,3-10H2
InChIKeyDIEFQMHHHNIBGL-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.92
Rot. Bonds7

About N-(2-but-3-enoxyethyl)piperidin-4-amine

N-(2-but-3-enoxyethyl)piperidin-4-amine (PubChem CID 106397170) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)piperidin-4-amine
PubChem CID106397170
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(2-but-3-enoxyethyl)piperidin-4-amine
SMILESC=CCCOCCNC1CCNCC1
InChIInChI=1S/C11H22N2O/c1-2-3-9-14-10-8-13-11-4-6-12-7-5-11/h2,11-13H,1,3-10H2
InChIKeyDIEFQMHHHNIBGL-UHFFFAOYSA-N
XLogP0.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-but-3-enoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103914589
N-but-3-enyloxan-3-amine
CID 64313076
N-(3-morpholin-4-ylpropyl)pent-4-en-1-amine
CID 64316038
1-Morpholin-2-ylprop-2-en-1-amine
CID 66605915
1-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900346
3-Morpholin-4-yloct-7-en-1-amine
CID 70245026
2,3-Bis(prop-2-enyl)morpholine
CID 118117583
2,5-Bis(prop-2-enyl)morpholine
CID 118117632
3,5-Bis(prop-2-enyl)morpholine
CID 118117972
3,5-Bis(ethenyl)morpholine
CID 121376543
3-But-3-enylmorpholine
CID 131027298
4-Piperidin-4-ylmorpholine;prop-1-ene
CID 153630611

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)piperidin-4-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)piperidin-4-amine (CID 106397170) is N-(2-but-3-enoxyethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)piperidin-4-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)piperidin-4-amine is C=CCCOCCNC1CCNCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)piperidin-4-amine?
The InChIKey is DIEFQMHHHNIBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-9-14-10-8-13-11-4-6-12-7-5-11/h2,11-13H,1,3-10H2.
What are the key properties of N-(2-but-3-enoxyethyl)piperidin-4-amine?
N-(2-but-3-enoxyethyl)piperidin-4-amine has a molecular weight of 198.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)piperidin-4-amine is sourced from PubChem (CID 106397170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).