1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine

C14H27FN2 — CID 176561973

IUPAC1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2(F)CCN(C)CC2)C1
InChIInChI=1S/C14H27FN2/c1-12-8-13(2)10-17(9-12)11-14(15)4-6-16(3)7-5-14/h12-13H,4-11H2,1-3H3
InChIKeyLWQRLLBFHZUYJW-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.40
Rot. Bonds2

About 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine

1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine (PubChem CID 176561973) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
PubChem CID176561973
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine
SMILESCC1CC(C)CN(CC2(F)CCN(C)CC2)C1
InChIInChI=1S/C14H27FN2/c1-12-8-13(2)10-17(9-12)11-14(15)4-6-16(3)7-5-14/h12-13H,4-11H2,1-3H3
InChIKeyLWQRLLBFHZUYJW-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-(Propane-1,3-diyl)bis(1-methylpiperidine)
CID 116563
Piperidinium, 1,1',1'-trimethyl-1,4'-ethylenedi-, diiodide
CID 3048569
1,1'-Dimethyl-4,4'-bipiperidine
CID 177611
1-(2-Methyl-4-piperidin-1-ylbutyl)piperidine
CID 11128366
4,4'-Dimethyl-[1,1']bipiperidinyl
CID 12402790
Piperidine, 1,1'-(1,2-ethanediyl)bis[3-methyl-
CID 107031
4-(3-Fluoropropyl)-1-methylpiperidine
CID 18723181
(3S)-3-ethyl-1-(2-fluoroethyl)piperidine
CID 57639891
(3R)-3-ethyl-1-(2-fluoroethyl)piperidine
CID 57639938
(3R)-3-ethyl-1-(3-fluoropropyl)piperidine
CID 57640267
(3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine
CID 58286757
1-(2-Fluoroethyl)-4-propan-2-ylpiperidine
CID 58286852

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine (CID 176561973) is 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine is CC1CC(C)CN(CC2(F)CCN(C)CC2)C1.
What is the InChIKey of 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine?
The InChIKey is LWQRLLBFHZUYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-12-8-13(2)10-17(9-12)11-14(15)4-6-16(3)7-5-14/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine?
1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine has a molecular weight of 242.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 176561973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).