2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

C13H26N2O — CID 103071488

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCCC(OC)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-7-5-6-13(10-15)16-4/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeyYSPJKJVYIXWHOK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103071488) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103071488
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCCC(OC)C1
InChIInChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-7-5-6-13(10-15)16-4/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeyYSPJKJVYIXWHOK-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-3-methoxypiperidin-4-amine
CID 13677841
(3S,4R)-3-methoxy-N,N-dimethylpiperidin-4-amine
CID 15078440
3-methoxy-N,N-dimethylpiperidin-4-amine
CID 19994869
1-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 66900346
cis-3-methoxy-N,N-dimethyl-4-piperidinamine
CID 67922774
[1-[(3S,4R)-3-methoxypiperidin-4-yl]azetidin-3-ylidene]methanamine
CID 68244264
(3R,4R)-1-ethyl-3-methoxypiperidin-4-amine
CID 96008021
3-(3-methoxypiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 102963759
(3R,4S)-3-methoxy-N-propan-2-ylpiperidin-4-amine
CID 118410168
3-Methoxy-2-methyl-5-methylidenepiperidine
CID 123429567
3-ethoxy-N,1-dimethylpiperidin-4-amine
CID 130372113
(3R,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
CID 134168159

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103071488) is 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCCC(OC)C1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is YSPJKJVYIXWHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)14-8-12(3)9-15-7-5-6-13(10-15)16-4/h11,13-14H,3,5-10H2,1-2,4H3.
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103071488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).