3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol

C20H27N3O — CID 170281779

IUPAC3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
SMILESCc1cccnc1C1CCCC(c2ncccc2C)N1CCCO
InChIInChI=1S/C20H27N3O/c1-15-7-4-11-21-19(15)17-9-3-10-18(23(17)13-6-14-24)20-16(2)8-5-12-22-20/h4-5,7-8,11-12,17-18,24H,3,6,9-10,13-14H2,1-2H3
InChIKeyGAWJGGGIZJDZLN-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.74
Rot. Bonds5

About 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol

3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol (PubChem CID 170281779) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
PubChem CID170281779
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
SMILESCc1cccnc1C1CCCC(c2ncccc2C)N1CCCO
InChIInChI=1S/C20H27N3O/c1-15-7-4-11-21-19(15)17-9-3-10-18(23(17)13-6-14-24)20-16(2)8-5-12-22-20/h4-5,7-8,11-12,17-18,24H,3,6,9-10,13-14H2,1-2H3
InChIKeyGAWJGGGIZJDZLN-UHFFFAOYSA-N
XLogP3.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol (CID 170281779) is 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol is Cc1cccnc1C1CCCC(c2ncccc2C)N1CCCO.
What is the InChIKey of 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
The InChIKey is GAWJGGGIZJDZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-7-4-11-21-19(15)17-9-3-10-18(23(17)13-6-14-24)20-16(2)8-5-12-22-20/h4-5,7-8,11-12,17-18,24H,3,6,9-10,13-14H2,1-2H3.
What are the key properties of 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol?
3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol has a molecular weight of 325.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 170281779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).