1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C16H24N2O2 — CID 82855728

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCOc1c(C)cnc(CC2(O)CCN3CCCC32)c1C
InChIInChI=1S/C16H24N2O2/c1-11-10-17-13(12(2)15(11)20-3)9-16(19)6-8-18-7-4-5-14(16)18/h10,14,19H,4-9H2,1-3H3
InChIKeyTYZAMSYJCGYQJE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.85
Rot. Bonds3

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82855728) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82855728
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCOc1c(C)cnc(CC2(O)CCN3CCCC32)c1C
InChIInChI=1S/C16H24N2O2/c1-11-10-17-13(12(2)15(11)20-3)9-16(19)6-8-18-7-4-5-14(16)18/h10,14,19H,4-9H2,1-3H3
InChIKeyTYZAMSYJCGYQJE-UHFFFAOYSA-N
XLogP1.85
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82855728) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is COc1c(C)cnc(CC2(O)CCN3CCCC32)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is TYZAMSYJCGYQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-10-17-13(12(2)15(11)20-3)9-16(19)6-8-18-7-4-5-14(16)18/h10,14,19H,4-9H2,1-3H3.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 276.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82855728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).