(4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine

C12H24N2O — CID 112622664

IUPAC(4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine
SMILESC=CCCCN1CCC(OC)CC1CN
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-14-8-6-12(15-2)9-11(14)10-13/h3,11-12H,1,4-10,13H2,2H3
InChIKeyLDUNAAZODHJXRR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds6

About (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine

(4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine (PubChem CID 112622664) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine
PubChem CID112622664
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine
SMILESC=CCCCN1CCC(OC)CC1CN
InChIInChI=1S/C12H24N2O/c1-3-4-5-7-14-8-6-12(15-2)9-11(14)10-13/h3,11-12H,1,4-10,13H2,2H3
InChIKeyLDUNAAZODHJXRR-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine?
The IUPAC name of (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine (CID 112622664) is (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine?
The canonical SMILES for (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine is C=CCCCN1CCC(OC)CC1CN.
What is the InChIKey of (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine?
The InChIKey is LDUNAAZODHJXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-4-5-7-14-8-6-12(15-2)9-11(14)10-13/h3,11-12H,1,4-10,13H2,2H3.
What are the key properties of (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine?
(4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-pent-4-enylpiperidin-2-yl)methanamine is sourced from PubChem (CID 112622664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).