N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine

C18H29N3O2 — CID 86786908

IUPACN-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccnc(OC3CCOC3)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)21-8-4-16(5-9-21)20-12-15-3-7-19-18(11-15)23-17-6-10-22-13-17/h3,7,11,14,16-17,20H,4-6,8-10,12-13H2,1-2H3
InChIKeyINMYAZRWNVXFPM-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.21
Rot. Bonds6

About N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine

N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 86786908) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID86786908
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NCc2ccnc(OC3CCOC3)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-14(2)21-8-4-16(5-9-21)20-12-15-3-7-19-18(11-15)23-17-6-10-22-13-17/h3,7,11,14,16-17,20H,4-6,8-10,12-13H2,1-2H3
InChIKeyINMYAZRWNVXFPM-UHFFFAOYSA-N
XLogP2.21
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine (CID 86786908) is N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NCc2ccnc(OC3CCOC3)c2)CC1.
What is the InChIKey of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is INMYAZRWNVXFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)21-8-4-16(5-9-21)20-12-15-3-7-19-18(11-15)23-17-6-10-22-13-17/h3,7,11,14,16-17,20H,4-6,8-10,12-13H2,1-2H3.
What are the key properties of N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine?
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 319.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 86786908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).