1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol

C15H25N3O — CID 164926689

IUPAC1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol
SMILESCCCc1ccc(N2CCC(O)C2)c(CN(C)C)n1
InChIInChI=1S/C15H25N3O/c1-4-5-12-6-7-15(14(16-12)11-17(2)3)18-9-8-13(19)10-18/h6-7,13,19H,4-5,8-11H2,1-3H3
InChIKeyYAIISMYUCDVXCR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.67
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol

1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol (PubChem CID 164926689) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol
PubChem CID164926689
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol
SMILESCCCc1ccc(N2CCC(O)C2)c(CN(C)C)n1
InChIInChI=1S/C15H25N3O/c1-4-5-12-6-7-15(14(16-12)11-17(2)3)18-9-8-13(19)10-18/h6-7,13,19H,4-5,8-11H2,1-3H3
InChIKeyYAIISMYUCDVXCR-UHFFFAOYSA-N
XLogP1.67
TPSA39.60 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol (CID 164926689) is 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol is CCCc1ccc(N2CCC(O)C2)c(CN(C)C)n1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol?
The InChIKey is YAIISMYUCDVXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-12-6-7-15(14(16-12)11-17(2)3)18-9-8-13(19)10-18/h6-7,13,19H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol?
1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-6-propyl-3-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 164926689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).