3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine

C26H39N3 — CID 142855458

IUPAC3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine
SMILESCC/C=C\c1cnccc1C.CNCCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2.C10H13N/c1-17-11-14-18-12-9-16(10-13-18)8-7-15-5-3-2-4-6-15;1-3-4-5-10-8-11-7-6-9(10)2/h2-6,16-17H,7-14H2,1H3;4-8H,3H2,1-2H3/b;5-4-
InChIKeyCRPBXNCPSKOTBO-GUHKXDMSSA-N
MW393.62 g/mol
LogP5.36
Rot. Bonds8

About 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine

3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine (PubChem CID 142855458) has the molecular formula C26H39N3 and a molecular weight of 393.62 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine
PubChem CID142855458
Molecular FormulaC26H39N3
Molecular Weight393.62 g/mol
Exact Mass393.31
IUPAC Name3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine
SMILESCC/C=C\c1cnccc1C.CNCCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2.C10H13N/c1-17-11-14-18-12-9-16(10-13-18)8-7-15-5-3-2-4-6-15;1-3-4-5-10-8-11-7-6-9(10)2/h2-6,16-17H,7-14H2,1H3;4-8H,3H2,1-2H3/b;5-4-
InChIKeyCRPBXNCPSKOTBO-GUHKXDMSSA-N
XLogP5.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-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 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine (CID 142855458) is 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine is CC/C=C\c1cnccc1C.CNCCN1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine?
The InChIKey is CRPBXNCPSKOTBO-GUHKXDMSSA-N. The full InChI is InChI=1S/C16H26N2.C10H13N/c1-17-11-14-18-12-9-16(10-13-18)8-7-15-5-3-2-4-6-15;1-3-4-5-10-8-11-7-6-9(10)2/h2-6,16-17H,7-14H2,1H3;4-8H,3H2,1-2H3/b;5-4-.
What are the key properties of 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine?
3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine has a molecular weight of 393.62 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 142855458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).