1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine

C16H27N3 — CID 81248041

IUPAC1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCCC1(C)CCN(c2cc(C)ncc2CNC)CC1
InChIInChI=1S/C16H27N3/c1-5-16(3)6-8-19(9-7-16)15-10-13(2)18-12-14(15)11-17-4/h10,12,17H,5-9,11H2,1-4H3
InChIKeyQXSFEGLTOWLHFR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine

1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 81248041) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID81248041
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCCC1(C)CCN(c2cc(C)ncc2CNC)CC1
InChIInChI=1S/C16H27N3/c1-5-16(3)6-8-19(9-7-16)15-10-13(2)18-12-14(15)11-17-4/h10,12,17H,5-9,11H2,1-4H3
InChIKeyQXSFEGLTOWLHFR-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine (CID 81248041) is 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine is CCC1(C)CCN(c2cc(C)ncc2CNC)CC1.
What is the InChIKey of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is QXSFEGLTOWLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-16(3)6-8-19(9-7-16)15-10-13(2)18-12-14(15)11-17-4/h10,12,17H,5-9,11H2,1-4H3.
What are the key properties of 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine?
1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-4-methylpiperidin-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81248041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).