(3S)-1-(3-fluoropropyl)-3-methoxypiperidine

C9H18FNO — CID 88981464

IUPAC(3S)-1-(3-fluoropropyl)-3-methoxypiperidine
SMILESCO[C@H]1CCCN(CCCF)C1
InChIInChI=1S/C9H18FNO/c1-12-9-4-2-6-11(8-9)7-3-5-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyTTYICQFHNJHIFB-VIFPVBQESA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds4

About (3S)-1-(3-fluoropropyl)-3-methoxypiperidine

(3S)-1-(3-fluoropropyl)-3-methoxypiperidine (PubChem CID 88981464) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S)-1-(3-fluoropropyl)-3-methoxypiperidine.

Molecular Properties

Compound Name(3S)-1-(3-fluoropropyl)-3-methoxypiperidine
PubChem CID88981464
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3S)-1-(3-fluoropropyl)-3-methoxypiperidine
SMILESCO[C@H]1CCCN(CCCF)C1
InChIInChI=1S/C9H18FNO/c1-12-9-4-2-6-11(8-9)7-3-5-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyTTYICQFHNJHIFB-VIFPVBQESA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(3-fluoropropyl)-3-methoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoropropyl)-3-methoxypiperidine?
The IUPAC name of (3S)-1-(3-fluoropropyl)-3-methoxypiperidine (CID 88981464) is (3S)-1-(3-fluoropropyl)-3-methoxypiperidine.
What is the SMILES notation for (3S)-1-(3-fluoropropyl)-3-methoxypiperidine?
The canonical SMILES for (3S)-1-(3-fluoropropyl)-3-methoxypiperidine is CO[C@H]1CCCN(CCCF)C1.
What is the InChIKey of (3S)-1-(3-fluoropropyl)-3-methoxypiperidine?
The InChIKey is TTYICQFHNJHIFB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18FNO/c1-12-9-4-2-6-11(8-9)7-3-5-10/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-(3-fluoropropyl)-3-methoxypiperidine?
(3S)-1-(3-fluoropropyl)-3-methoxypiperidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoropropyl)-3-methoxypiperidine is sourced from PubChem (CID 88981464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).