N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine

C13H26N2O — CID 28725798

IUPACN-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine
SMILESC=COCCCNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-4-16-11-5-8-14-13-6-9-15(10-7-13)12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyYBZMWTOTNPEDJA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.00
Rot. Bonds7

About N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine

N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 28725798) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID28725798
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine
SMILESC=COCCCNC1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-4-16-11-5-8-14-13-6-9-15(10-7-13)12(2)3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyYBZMWTOTNPEDJA-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine (CID 28725798) is N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine is C=COCCCNC1CCN(C(C)C)CC1.
What is the InChIKey of N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is YBZMWTOTNPEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-16-11-5-8-14-13-6-9-15(10-7-13)12(2)3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine?
N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 28725798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).