4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine

C19H28N2O — CID 69137569

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc(OCCCN3CCCCC3)cc2)CCNC1
InChIInChI=1S/C19H28N2O/c1-2-13-21(14-3-1)15-4-16-22-19-7-5-17(6-8-19)18-9-11-20-12-10-18/h5-9,20H,1-4,10-16H2
InChIKeyXPRAOGZNTJMGOI-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.32
Rot. Bonds6

About 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine

4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 69137569) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID69137569
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccc(OCCCN3CCCCC3)cc2)CCNC1
InChIInChI=1S/C19H28N2O/c1-2-13-21(14-3-1)15-4-16-22-19-7-5-17(6-8-19)18-9-11-20-12-10-18/h5-9,20H,1-4,10-16H2
InChIKeyXPRAOGZNTJMGOI-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 65176251
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
CID 79360586
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 11978855
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine
CID 15941902
5-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
CID 118734855
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine (CID 69137569) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine is C1=C(c2ccc(OCCCN3CCCCC3)cc2)CCNC1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is XPRAOGZNTJMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-13-21(14-3-1)15-4-16-22-19-7-5-17(6-8-19)18-9-11-20-12-10-18/h5-9,20H,1-4,10-16H2.
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 300.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 69137569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).