1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol

C32H53N5O2 — CID 172575874

About 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol

1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol (PubChem CID 172575874) has the molecular formula C32H53N5O2 and a molecular weight of 539.81 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol
• PubChem CID: 172575874
• Molecular Formula: C32H53N5O2
• Molecular Weight: 539.81 g/mol
• Exact Mass: 539.42
• IUPAC Name: 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol
• SMILES: CC(C)c1ccc(N2CCC(O)CC2)c(CN(C)C)n1.CC(C)c1ccc(N2CCCC(C(C)(C)O)C2)cn1
• InChI: InChI=1S/C16H27N3O.C16H26N2O/c1-12(2)14-5-6-16(15(17-14)11-18(3)4)19-9-7-13(20)8-10-19;1-12(2)15-8-7-14(10-17-15)18-9-5-6-13(11-18)16(3,4)19/h5-6,12-13,20H,7-11H2,1-4H3;7-8,10,12-13,19H,5-6,9,11H2,1-4H3
• InChIKey: LDUPZCYSWTUNAE-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 75.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.81
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol?

The IUPAC name of 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol (CID 172575874) is 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol.

What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol?

The canonical SMILES for 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol is CC(C)c1ccc(N2CCC(O)CC2)c(CN(C)C)n1.CC(C)c1ccc(N2CCCC(C(C)(C)O)C2)cn1.

What is the InChIKey of 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol?

The InChIKey is LDUPZCYSWTUNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.C16H26N2O/c1-12(2)14-5-6-16(15(17-14)11-18(3)4)19-9-7-13(20)8-10-19;1-12(2)15-8-7-14(10-17-15)18-9-5-6-13(11-18)16(3,4)19/h5-6,12-13,20H,7-11H2,1-4H3;7-8,10,12-13,19H,5-6,9,11H2,1-4H3.

What are the key properties of 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol?

1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol has a molecular weight of 539.81 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(dimethylamino)methyl]-6-propan-2-yl-3-pyridinyl]piperidin-4-ol;2-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-2-ol is sourced from PubChem (CID 172575874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).