N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

C15H25N3O — CID 102967603

IUPACN-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C15H25N3O/c1-4-16-9-13-10-17-7-5-14(13)18-8-6-12(2)15(11-18)19-3/h5,7,10,12,15-16H,4,6,8-9,11H2,1-3H3
InChIKeyCTDVSSIXGQXVNN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.05
Rot. Bonds5

About N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 102967603) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID102967603
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C15H25N3O/c1-4-16-9-13-10-17-7-5-14(13)18-8-6-12(2)15(11-18)19-3/h5,7,10,12,15-16H,4,6,8-9,11H2,1-3H3
InChIKeyCTDVSSIXGQXVNN-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 102967603) is N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1N1CCC(C)C(OC)C1.
What is the InChIKey of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is CTDVSSIXGQXVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-16-9-13-10-17-7-5-14(13)18-8-6-12(2)15(11-18)19-3/h5,7,10,12,15-16H,4,6,8-9,11H2,1-3H3.
What are the key properties of N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 102967603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).