2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine

C13H26FNO — CID 116500636

IUPAC2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine
SMILESCOCCC(C)C(C)(F)CC1CCCCN1
InChIInChI=1S/C13H26FNO/c1-11(7-9-16-3)13(2,14)10-12-6-4-5-8-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFUPUWDMHPLPSLJ-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.92
Rot. Bonds6

About 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine

2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine (PubChem CID 116500636) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine
PubChem CID116500636
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine
SMILESCOCCC(C)C(C)(F)CC1CCCCN1
InChIInChI=1S/C13H26FNO/c1-11(7-9-16-3)13(2,14)10-12-6-4-5-8-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFUPUWDMHPLPSLJ-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(2R,4S)-4-methyl-2-(oxan-4-yl)piperidine
CID 165942131
4-[5-(2,2,2-Trifluoroethoxy)pentyl]piperidine
CID 142825207
(2-Ethyl-1-piperidin-2-ylpentyl) hypofluorite
CID 144738728
3-(Difluoromethoxymethyl)-2-propan-2-ylpiperidine
CID 170771809
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
3-Tert-butyl-2-methoxy-6-(trifluoromethyl)piperidine
CID 176833189
(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine
CID 178086418
5-[5-(2-Aminoethoxy)pentyl]-3-fluoro-1,3-dimethylpiperidin-4-amine
CID 178089332
3-(5-Ethylpiperidin-2-yl)propan-1-ol
CID 335684
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 64124144
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 64124344
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 64124357

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine?
The IUPAC name of 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine (CID 116500636) is 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine.
What is the SMILES notation for 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine?
The canonical SMILES for 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine is COCCC(C)C(C)(F)CC1CCCCN1.
What is the InChIKey of 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine?
The InChIKey is FUPUWDMHPLPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-11(7-9-16-3)13(2,14)10-12-6-4-5-8-15-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine?
2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine has a molecular weight of 231.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxy-2,3-dimethylpentyl)piperidine is sourced from PubChem (CID 116500636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).