3-(3-fluoropropoxy)-3-methylpiperidine

C9H18FNO — CID 107385798

IUPAC3-(3-fluoropropoxy)-3-methylpiperidine
SMILESCC1(OCCCF)CCCNC1
InChIInChI=1S/C9H18FNO/c1-9(12-7-3-5-10)4-2-6-11-8-9/h11H,2-8H2,1H3
InChIKeyBRGIHPOLHNRYSI-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds4

About 3-(3-fluoropropoxy)-3-methylpiperidine

3-(3-fluoropropoxy)-3-methylpiperidine (PubChem CID 107385798) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)-3-methylpiperidine.

Molecular Properties

Compound Name3-(3-fluoropropoxy)-3-methylpiperidine
PubChem CID107385798
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-(3-fluoropropoxy)-3-methylpiperidine
SMILESCC1(OCCCF)CCCNC1
InChIInChI=1S/C9H18FNO/c1-9(12-7-3-5-10)4-2-6-11-8-9/h11H,2-8H2,1H3
InChIKeyBRGIHPOLHNRYSI-UHFFFAOYSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Propoxypiperidine
CID 4712034
3-(Propan-2-yloxy)piperidine
CID 53409756
2-Cyclopropyl-2-methylmorpholine
CID 65121980
3-Methoxy-3-methylpiperidine
CID 57302823
3-(Tert-butoxy)piperidine hydrochloride
CID 137964136
(3R)-3-(tert-butoxy)piperidine hydrochloride
CID 138040139
(3R,5R)-3-(tert-butoxy)-5-methoxypiperidine hydrochloride
CID 155820236
(3R,5R)-3-(tert-butoxy)-5-fluoropiperidine hydrochloride
CID 165592704
(3S,5S)-3-(tert-butoxy)-5-methoxypiperidine hydrochloride
CID 165908131
(3S,5R)-3-(tert-butoxy)-5-fluoropiperidine hydrochloride
CID 165947341
(2S)-2-(2-methylpropyl)morpholine hydrochloride
CID 165947427
3-(Difluoromethyl)-3-methoxypiperidine hydrochloride
CID 167725268

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)-3-methylpiperidine?
The IUPAC name of 3-(3-fluoropropoxy)-3-methylpiperidine (CID 107385798) is 3-(3-fluoropropoxy)-3-methylpiperidine.
What is the SMILES notation for 3-(3-fluoropropoxy)-3-methylpiperidine?
The canonical SMILES for 3-(3-fluoropropoxy)-3-methylpiperidine is CC1(OCCCF)CCCNC1.
What is the InChIKey of 3-(3-fluoropropoxy)-3-methylpiperidine?
The InChIKey is BRGIHPOLHNRYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(12-7-3-5-10)4-2-6-11-8-9/h11H,2-8H2,1H3.
What are the key properties of 3-(3-fluoropropoxy)-3-methylpiperidine?
3-(3-fluoropropoxy)-3-methylpiperidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)-3-methylpiperidine is sourced from PubChem (CID 107385798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).