[6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine

C13H21N3O — CID 81253846

IUPAC[6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine
SMILESCc1cc(OC2CCN(C)CC2)c(CN)cn1
InChIInChI=1S/C13H21N3O/c1-10-7-13(11(8-14)9-15-10)17-12-3-5-16(2)6-4-12/h7,9,12H,3-6,8,14H2,1-2H3
InChIKeyOPUDPTZNTWAWCY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds3

About [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine

[6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine (PubChem CID 81253846) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine
PubChem CID81253846
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine
SMILESCc1cc(OC2CCN(C)CC2)c(CN)cn1
InChIInChI=1S/C13H21N3O/c1-10-7-13(11(8-14)9-15-10)17-12-3-5-16(2)6-4-12/h7,9,12H,3-6,8,14H2,1-2H3
InChIKeyOPUDPTZNTWAWCY-UHFFFAOYSA-N
XLogP1.32
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine (CID 81253846) is [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine is Cc1cc(OC2CCN(C)CC2)c(CN)cn1.
What is the InChIKey of [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
The InChIKey is OPUDPTZNTWAWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-7-13(11(8-14)9-15-10)17-12-3-5-16(2)6-4-12/h7,9,12H,3-6,8,14H2,1-2H3.
What are the key properties of [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine?
[6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 81253846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).