4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine

C10H16F4N2 — CID 164662923

IUPAC4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
SMILESFC1(F)CN(CC2CCNCC2)CC1(F)F
InChIInChI=1S/C10H16F4N2/c11-9(12)6-16(7-10(9,13)14)5-8-1-3-15-4-2-8/h8,15H,1-7H2
InChIKeyMSGFBEYEYLIKSH-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.57
Rot. Bonds2

About 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine

4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine (PubChem CID 164662923) has the molecular formula C10H16F4N2 and a molecular weight of 240.24 g/mol. Its IUPAC name is 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
PubChem CID164662923
Molecular FormulaC10H16F4N2
Molecular Weight240.24 g/mol
Exact Mass240.12
IUPAC Name4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
SMILESFC1(F)CN(CC2CCNCC2)CC1(F)F
InChIInChI=1S/C10H16F4N2/c11-9(12)6-16(7-10(9,13)14)5-8-1-3-15-4-2-8/h8,15H,1-7H2
InChIKeyMSGFBEYEYLIKSH-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084
7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
CID 170022734
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 146558610
4-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]piperidine
CID 165137082
1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)piperidin-3-ol
CID 119931795
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
3-[(3,3-dimethoxyazetidin-1-yl)methyl]pyrrolidine
CID 80563875
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine (CID 164662923) is 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine is FC1(F)CN(CC2CCNCC2)CC1(F)F.
What is the InChIKey of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine?
The InChIKey is MSGFBEYEYLIKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2/c11-9(12)6-16(7-10(9,13)14)5-8-1-3-15-4-2-8/h8,15H,1-7H2.
What are the key properties of 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine?
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine has a molecular weight of 240.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 164662923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).