3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine

C15H29FN2O — CID 156735038

IUPAC3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine
SMILESCC(F)CCOCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C15H29FN2O/c1-13(16)6-10-19-12-14-3-2-9-18(11-14)15-4-7-17-8-5-15/h13-15,17H,2-12H2,1H3
InChIKeyQDLAELGQFQEHNG-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.22
Rot. Bonds6

About 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine

3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine (PubChem CID 156735038) has the molecular formula C15H29FN2O and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine
PubChem CID156735038
Molecular FormulaC15H29FN2O
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine
SMILESCC(F)CCOCC1CCCN(C2CCNCC2)C1
InChIInChI=1S/C15H29FN2O/c1-13(16)6-10-19-12-14-3-2-9-18(11-14)15-4-7-17-8-5-15/h13-15,17H,2-12H2,1H3
InChIKeyQDLAELGQFQEHNG-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.22
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

1,4'-Bipiperidin-3-ylmethanol
CID 23092060
N-isopentyl-N-(4-piperidyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 91916173
5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]piperidine
CID 118123772
(1-Piperidin-4-ylpiperidin-3-yl)methyl 2,2,2-trifluoroacetate
CID 134325289
[3-(Methoxymethyl)-1-piperidin-4-ylpiperidin-2-yl] 2,2,2-trifluoroacetate
CID 140087501
3-[[1-(Difluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735032
1-Piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride
CID 156735062
1-Piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine
CID 156735063
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine;dihydrochloride
CID 156735112
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 156735113
3-[[1-(Fluoromethyl)cyclopropyl]methoxymethyl]-1-piperidin-4-ylpiperidine
CID 156735119
3-[(3,3-Difluorocyclobutyl)methoxymethyl]-1-piperidin-4-ylpiperidine;dihydrochloride
CID 156735218

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine?
The IUPAC name of 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine (CID 156735038) is 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine?
The canonical SMILES for 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine is CC(F)CCOCC1CCCN(C2CCNCC2)C1.
What is the InChIKey of 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine?
The InChIKey is QDLAELGQFQEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O/c1-13(16)6-10-19-12-14-3-2-9-18(11-14)15-4-7-17-8-5-15/h13-15,17H,2-12H2,1H3.
What are the key properties of 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine?
3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine has a molecular weight of 272.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutoxymethyl)-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 156735038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).