3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

C14H27FN2 — CID 176562259

IUPAC3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)N1CCC(CN2CCCC(F)C2)CC1
InChIInChI=1S/C14H27FN2/c1-12(2)17-8-5-13(6-9-17)10-16-7-3-4-14(15)11-16/h12-14H,3-11H2,1-2H3
InChIKeyIHVXCIBPBLVANK-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.54
Rot. Bonds3

About 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 176562259) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
PubChem CID176562259
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)N1CCC(CN2CCCC(F)C2)CC1
InChIInChI=1S/C14H27FN2/c1-12(2)17-8-5-13(6-9-17)10-16-7-3-4-14(15)11-16/h12-14H,3-11H2,1-2H3
InChIKeyIHVXCIBPBLVANK-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 3-fluoro-1-(piperidin-1-id-4-ylmethyl)piperidine
CID 176562157
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
3-fluoro-1-(4-methylpentyl)piperidine
CID 58664939
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
3-ethyl-1-[(4-fluorocyclohexyl)methyl]piperidine
CID 163155823
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
(4S)-3,3-difluoro-4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171598437

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (CID 176562259) is 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is CC(C)N1CCC(CN2CCCC(F)C2)CC1.
What is the InChIKey of 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is IHVXCIBPBLVANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-12(2)17-8-5-13(6-9-17)10-16-7-3-4-14(15)11-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 242.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 176562259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).