N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine

C18H29N3O2 — CID 134340063

IUPACN-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine
SMILESCC(C)c1cncc(NC2CCN(CC3COCCO3)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-14(2)15-9-17(11-19-10-15)20-16-3-5-21(6-4-16)12-18-13-22-7-8-23-18/h9-11,14,16,18,20H,3-8,12-13H2,1-2H3
InChIKeyQJSOLMINILVMBA-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine

N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine (PubChem CID 134340063) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine
PubChem CID134340063
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine
SMILESCC(C)c1cncc(NC2CCN(CC3COCCO3)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-14(2)15-9-17(11-19-10-15)20-16-3-5-21(6-4-16)12-18-13-22-7-8-23-18/h9-11,14,16,18,20H,3-8,12-13H2,1-2H3
InChIKeyQJSOLMINILVMBA-UHFFFAOYSA-N
XLogP2.50
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine?
The IUPAC name of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine (CID 134340063) is N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine?
The canonical SMILES for N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine is CC(C)c1cncc(NC2CCN(CC3COCCO3)CC2)c1.
What is the InChIKey of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine?
The InChIKey is QJSOLMINILVMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)15-9-17(11-19-10-15)20-16-3-5-21(6-4-16)12-18-13-22-7-8-23-18/h9-11,14,16,18,20H,3-8,12-13H2,1-2H3.
What are the key properties of N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine?
N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine has a molecular weight of 319.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]-5-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 134340063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).