2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine

C22H28N2O — CID 170199883

IUPAC2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine
SMILESC/C=C\c1cc(COc2cccc(C3CCNCC3)n2)ccc1CC
InChIInChI=1S/C22H28N2O/c1-3-6-20-15-17(9-10-18(20)4-2)16-25-22-8-5-7-21(24-22)19-11-13-23-14-12-19/h3,5-10,15,19,23H,4,11-14,16H2,1-2H3/b6-3-
InChIKeyHFAXTGMTRWDTFU-UTCJRWHESA-N
MW336.48 g/mol
LogP4.72
Rot. Bonds6

About 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine

2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine (PubChem CID 170199883) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine
PubChem CID170199883
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine
SMILESC/C=C\c1cc(COc2cccc(C3CCNCC3)n2)ccc1CC
InChIInChI=1S/C22H28N2O/c1-3-6-20-15-17(9-10-18(20)4-2)16-25-22-8-5-7-21(24-22)19-11-13-23-14-12-19/h3,5-10,15,19,23H,4,11-14,16H2,1-2H3/b6-3-
InChIKeyHFAXTGMTRWDTFU-UTCJRWHESA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine?
The IUPAC name of 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine (CID 170199883) is 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine?
The canonical SMILES for 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine is C/C=C\c1cc(COc2cccc(C3CCNCC3)n2)ccc1CC.
What is the InChIKey of 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine?
The InChIKey is HFAXTGMTRWDTFU-UTCJRWHESA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-6-20-15-17(9-10-18(20)4-2)16-25-22-8-5-7-21(24-22)19-11-13-23-14-12-19/h3,5-10,15,19,23H,4,11-14,16H2,1-2H3/b6-3-.
What are the key properties of 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine?
2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine has a molecular weight of 336.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine is sourced from PubChem (CID 170199883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).