2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine

C17H32N4O — CID 47000472

IUPAC2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCOCCN(Cc1cnn(C)c1)CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H32N4O/c1-15(2)21-7-5-16(6-8-21)13-20(9-10-22-4)14-17-11-18-19(3)12-17/h11-12,15-16H,5-10,13-14H2,1-4H3
InChIKeyPUEWORJTYRFOBC-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.99
Rot. Bonds8

About 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine

2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine (PubChem CID 47000472) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine
PubChem CID47000472
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCOCCN(Cc1cnn(C)c1)CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H32N4O/c1-15(2)21-7-5-16(6-8-21)13-20(9-10-22-4)14-17-11-18-19(3)12-17/h11-12,15-16H,5-10,13-14H2,1-4H3
InChIKeyPUEWORJTYRFOBC-UHFFFAOYSA-N
XLogP1.99
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine (CID 47000472) is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine is COCCN(Cc1cnn(C)c1)CC1CCN(C(C)C)CC1.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is PUEWORJTYRFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-15(2)21-7-5-16(6-8-21)13-20(9-10-22-4)14-17-11-18-19(3)12-17/h11-12,15-16H,5-10,13-14H2,1-4H3.
What are the key properties of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine?
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 308.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 47000472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).