1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine

C23H38N2O — CID 91350575

IUPAC1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine
SMILESCCCC(c1ccc(OCCCN2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C23H38N2O/c1-2-7-23(21-12-14-24-15-13-21)20-8-10-22(11-9-20)26-19-6-18-25-16-4-3-5-17-25/h8-11,21,23-24H,2-7,12-19H2,1H3
InChIKeyDBYWYVFNTITLQK-UHFFFAOYSA-N
MW358.57 g/mol
LogP4.82
Rot. Bonds9

About 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine

1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine (PubChem CID 91350575) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine
PubChem CID91350575
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC Name1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine
SMILESCCCC(c1ccc(OCCCN2CCCCC2)cc1)C1CCNCC1
InChIInChI=1S/C23H38N2O/c1-2-7-23(21-12-14-24-15-13-21)20-8-10-22(11-9-20)26-19-6-18-25-16-4-3-5-17-25/h8-11,21,23-24H,2-7,12-19H2,1H3
InChIKeyDBYWYVFNTITLQK-UHFFFAOYSA-N
XLogP4.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 54.82
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-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
1-[6-(4-pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride
CID 54605432
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
3-amino-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 142171776
3-(dimethylamino)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-ol
CID 69166688
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[4-(5-pyrrolidin-1-ylpentoxy)phenyl]ethanol
CID 11857382
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine (CID 91350575) is 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine is CCCC(c1ccc(OCCCN2CCCCC2)cc1)C1CCNCC1.
What is the InChIKey of 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine?
The InChIKey is DBYWYVFNTITLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O/c1-2-7-23(21-12-14-24-15-13-21)20-8-10-22(11-9-20)26-19-6-18-25-16-4-3-5-17-25/h8-11,21,23-24H,2-7,12-19H2,1H3.
What are the key properties of 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine?
1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine has a molecular weight of 358.57 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-piperidin-4-ylbutyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 91350575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).