1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine

C16H27N3O — CID 62992637

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ccc(OC)nc2)C(C)C1
InChIInChI=1S/C16H27N3O/c1-4-8-17-15-7-9-19(13(2)10-15)12-14-5-6-16(20-3)18-11-14/h5-6,11,13,15,17H,4,7-10,12H2,1-3H3
InChIKeyFMWGNEVFNSBQEN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds6

About 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine

1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine (PubChem CID 62992637) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine
PubChem CID62992637
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(Cc2ccc(OC)nc2)C(C)C1
InChIInChI=1S/C16H27N3O/c1-4-8-17-15-7-9-19(13(2)10-15)12-14-5-6-16(20-3)18-11-14/h5-6,11,13,15,17H,4,7-10,12H2,1-3H3
InChIKeyFMWGNEVFNSBQEN-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine (CID 62992637) is 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine is CCCNC1CCN(Cc2ccc(OC)nc2)C(C)C1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine?
The InChIKey is FMWGNEVFNSBQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-8-17-15-7-9-19(13(2)10-15)12-14-5-6-16(20-3)18-11-14/h5-6,11,13,15,17H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine?
1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 62992637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).