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

C23H34N2O — CID 15941902

IUPAC1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine
SMILESC(#Cc1ccc(OCCCN2CCCCC2)cc1)CCN1CCCCC1
InChIInChI=1S/C23H34N2O/c1-4-15-24(16-5-1)19-8-3-10-22-11-13-23(14-12-22)26-21-9-20-25-17-6-2-7-18-25/h11-14H,1-2,4-9,15-21H2
InChIKeyWIXQPYMSZONHGU-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.17
Rot. Bonds7

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

1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine (PubChem CID 15941902) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine
PubChem CID15941902
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine
SMILESC(#Cc1ccc(OCCCN2CCCCC2)cc1)CCN1CCCCC1
InChIInChI=1S/C23H34N2O/c1-4-15-24(16-5-1)19-8-3-10-22-11-13-23(14-12-22)26-21-9-20-25-17-6-2-7-18-25/h11-14H,1-2,4-9,15-21H2
InChIKeyWIXQPYMSZONHGU-UHFFFAOYSA-N
XLogP4.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(4-chlorobut-1-ynyl)phenoxy]propyl]pyrrolidine
CID 61494281
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
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-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[4-[4-(3-methyl-1-phenoxybutyl)phenyl]but-3-ynyl]piperidine
CID 91361024
3-[4-fluoro-3-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-yn-1-ol
CID 114675221
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine
CID 143109562

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine (CID 15941902) is 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine is C(#Cc1ccc(OCCCN2CCCCC2)cc1)CCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine?
The InChIKey is WIXQPYMSZONHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-4-15-24(16-5-1)19-8-3-10-22-11-13-23(14-12-22)26-21-9-20-25-17-6-2-7-18-25/h11-14H,1-2,4-9,15-21H2.
What are the key properties of 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine?
1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine has a molecular weight of 354.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 15941902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).