1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine

C10H19F2N3 — CID 116991229

IUPAC1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine
SMILESFC1(F)CCN(CN2CCNCC2)CC1
InChIInChI=1S/C10H19F2N3/c11-10(12)1-5-14(6-2-10)9-15-7-3-13-4-8-15/h13H,1-9H2
InChIKeyWFAMJVJKEAWABM-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.58
Rot. Bonds2

About 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine

1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine (PubChem CID 116991229) has the molecular formula C10H19F2N3 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine
PubChem CID116991229
Molecular FormulaC10H19F2N3
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine
SMILESFC1(F)CCN(CN2CCNCC2)CC1
InChIInChI=1S/C10H19F2N3/c11-10(12)1-5-14(6-2-10)9-15-7-3-13-4-8-15/h13H,1-9H2
InChIKeyWFAMJVJKEAWABM-UHFFFAOYSA-N
XLogP0.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,3-difluoropyrrolidin-1-yl)butyl]piperazine
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1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
1-(piperidin-1-ylmethyl)piperazine
CID 20508970
1-[(1-fluorocyclopentyl)methyl]piperazine
CID 126845904
(4,4-difluoropiperidin-1-yl)methanethiol
CID 116991227
1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845662
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
4,4-difluoropiperidine;methane
CID 143607085
2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 2758354
4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
4,4-difluoropiperidine;methyl 2-bromoacetate;methyl 2-(4,4-difluoropiperidin-1-yl)acetate
CID 157428618
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine?
The IUPAC name of 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine (CID 116991229) is 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine is FC1(F)CCN(CN2CCNCC2)CC1.
What is the InChIKey of 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine?
The InChIKey is WFAMJVJKEAWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3/c11-10(12)1-5-14(6-2-10)9-15-7-3-13-4-8-15/h13H,1-9H2.
What are the key properties of 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine?
1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine has a molecular weight of 219.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine is sourced from PubChem (CID 116991229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).