N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine

C17H29N3O — CID 82888652

IUPACN-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(Cc2cc(OC)cc(C)n2)CC1
InChIInChI=1S/C17H29N3O/c1-5-18-14(3)15-6-8-20(9-7-15)12-16-11-17(21-4)10-13(2)19-16/h10-11,14-15,18H,5-9,12H2,1-4H3
InChIKeyMZCKYBFCEZIXRK-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.61
Rot. Bonds6

About N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine

N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine (PubChem CID 82888652) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
PubChem CID82888652
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(Cc2cc(OC)cc(C)n2)CC1
InChIInChI=1S/C17H29N3O/c1-5-18-14(3)15-6-8-20(9-7-15)12-16-11-17(21-4)10-13(2)19-16/h10-11,14-15,18H,5-9,12H2,1-4H3
InChIKeyMZCKYBFCEZIXRK-UHFFFAOYSA-N
XLogP2.61
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine (CID 82888652) is N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine is CCNC(C)C1CCN(Cc2cc(OC)cc(C)n2)CC1.
What is the InChIKey of N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is MZCKYBFCEZIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-18-14(3)15-6-8-20(9-7-15)12-16-11-17(21-4)10-13(2)19-16/h10-11,14-15,18H,5-9,12H2,1-4H3.
What are the key properties of N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine?
N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 82888652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).