5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

C15H25N3O — CID 106504475

IUPAC5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOc1ccc(N(CC2CCNCC2)C(C)C)nc1
InChIInChI=1S/C15H25N3O/c1-12(2)18(11-13-6-8-16-9-7-13)15-5-4-14(19-3)10-17-15/h4-5,10,12-13,16H,6-9,11H2,1-3H3
InChIKeySYNQKACTLQIDAD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds5

About 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 106504475) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID106504475
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOc1ccc(N(CC2CCNCC2)C(C)C)nc1
InChIInChI=1S/C15H25N3O/c1-12(2)18(11-13-6-8-16-9-7-13)15-5-4-14(19-3)10-17-15/h4-5,10,12-13,16H,6-9,11H2,1-3H3
InChIKeySYNQKACTLQIDAD-UHFFFAOYSA-N
XLogP2.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 106504475) is 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is COc1ccc(N(CC2CCNCC2)C(C)C)nc1.
What is the InChIKey of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is SYNQKACTLQIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)18(11-13-6-8-16-9-7-13)15-5-4-14(19-3)10-17-15/h4-5,10,12-13,16H,6-9,11H2,1-3H3.
What are the key properties of 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 106504475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).