1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine

C24H34FNO — CID 91549016

IUPAC1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine
SMILESFc1cc(C2C3CC4CC(C3)CC2C4)ccc1OCCCN1CCCCC1
InChIInChI=1S/C24H34FNO/c25-22-16-19(24-20-12-17-11-18(14-20)15-21(24)13-17)5-6-23(22)27-10-4-9-26-7-2-1-3-8-26/h5-6,16-18,20-21,24H,1-4,7-15H2
InChIKeyYYXMVEDHAJOOSK-UHFFFAOYSA-N
MW371.54 g/mol
LogP5.62
Rot. Bonds6

About 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine

1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine (PubChem CID 91549016) has the molecular formula C24H34FNO and a molecular weight of 371.54 g/mol. Its IUPAC name is 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine
PubChem CID91549016
Molecular FormulaC24H34FNO
Molecular Weight371.54 g/mol
Exact Mass371.26
IUPAC Name1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine
SMILESFc1cc(C2C3CC4CC(C3)CC2C4)ccc1OCCCN1CCCCC1
InChIInChI=1S/C24H34FNO/c25-22-16-19(24-20-12-17-11-18(14-20)15-21(24)13-17)5-6-23(22)27-10-4-9-26-7-2-1-3-8-26/h5-6,16-18,20-21,24H,1-4,7-15H2
InChIKeyYYXMVEDHAJOOSK-UHFFFAOYSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 107686584
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
4-[3-[4-[3-(4-cyano-2-fluorophenoxy)propyl]piperazin-1-yl]propoxy]-3-fluorobenzonitrile
CID 67135650
1-[2-(2-fluoro-4-propylphenoxy)ethyl]piperidine
CID 91082463
1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine
CID 91800441
1-[3-fluoro-4-[3-(3-phenylpiperidin-1-yl)propoxy]phenyl]-5-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 67157572
N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 107687146
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22318837
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine (CID 91549016) is 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine is Fc1cc(C2C3CC4CC(C3)CC2C4)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine?
The InChIKey is YYXMVEDHAJOOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO/c25-22-16-19(24-20-12-17-11-18(14-20)15-21(24)13-17)5-6-23(22)27-10-4-9-26-7-2-1-3-8-26/h5-6,16-18,20-21,24H,1-4,7-15H2.
What are the key properties of 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine?
1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine has a molecular weight of 371.54 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-adamantyl)-2-fluorophenoxy]propyl]piperidine is sourced from PubChem (CID 91549016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).