6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine

C19H28N2O — CID 11978855

IUPAC6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
SMILESc1cc(C2=NCCCC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H28N2O/c1-4-13-21(14-5-1)15-6-16-22-18-10-8-17(9-11-18)19-7-2-3-12-20-19/h8-11H,1-7,12-16H2
InChIKeyKWETVAOOZWXCFI-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.91
Rot. Bonds6

About 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine

6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine (PubChem CID 11978855) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
PubChem CID11978855
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
SMILESc1cc(C2=NCCCC2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H28N2O/c1-4-13-21(14-5-1)15-6-16-22-18-10-8-17(9-11-18)19-7-2-3-12-20-19/h8-11H,1-7,12-16H2
InChIKeyKWETVAOOZWXCFI-UHFFFAOYSA-N
XLogP3.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine
CID 23150757
(5S)-1-[3-[4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]propyl]-3,5-dimethylpiperidine
CID 69108440
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine
CID 141200350
(3R,5R)-3,5-dimethyl-1-[3-[4-(2,3,4,5-tetrahydropyridin-6-yl)phenoxy]propyl]piperidine;oxalic acid
CID 162312541
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine (CID 11978855) is 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine is c1cc(C2=NCCCC2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is KWETVAOOZWXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-4-13-21(14-5-1)15-6-16-22-18-10-8-17(9-11-18)19-7-2-3-12-20-19/h8-11H,1-7,12-16H2.
What are the key properties of 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine?
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 300.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 11978855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).