4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride

C9H18Cl2F2N2 — CID 155895977

IUPAC4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
SMILESCl.Cl.FC1(F)CCN(C2CCNC2)CC1
InChIInChI=1S/C9H16F2N2.2ClH/c10-9(11)2-5-13(6-3-9)8-1-4-12-7-8;;/h8,12H,1-7H2;2*1H
InChIKeyNSOVBRDMPAKSJC-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.92
Rot. Bonds1

About 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride

4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride (PubChem CID 155895977) has the molecular formula C9H18Cl2F2N2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride.

Molecular Properties

Compound Name4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
PubChem CID155895977
Molecular FormulaC9H18Cl2F2N2
Molecular Weight263.16 g/mol
Exact Mass262.08
IUPAC Name4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
SMILESCl.Cl.FC1(F)CCN(C2CCNC2)CC1
InChIInChI=1S/C9H16F2N2.2ClH/c10-9(11)2-5-13(6-3-9)8-1-4-12-7-8;;/h8,12H,1-7H2;2*1H
InChIKeyNSOVBRDMPAKSJC-UHFFFAOYSA-N
XLogP1.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azetidin-1-yl)pyrrolidine;hydrochloride
CID 53414698
8-pyrrolidin-3-yl-8-azaspiro[4.5]decane
CID 63160445
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
CID 134128350
(3R,4S,5R)-3-(4,4-difluoropiperidin-1-yl)azepane-4,5-diol
CID 110128719
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
(3R)-3-fluoro-1-[(3R)-pyrrolidin-3-yl]pyrrolidine
CID 123801456
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215
N,N-dimethyl-1-pyrrolidin-3-ylpiperidin-4-amine
CID 62328090
4-methyl-1-piperidin-4-ylpiperidin-4-ol;hydrochloride
CID 75464899
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
4-ethyl-1-pyrrolidin-3-ylpiperidine
CID 62328798

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride?
The IUPAC name of 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride (CID 155895977) is 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride.
What is the SMILES notation for 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride?
The canonical SMILES for 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride is Cl.Cl.FC1(F)CCN(C2CCNC2)CC1.
What is the InChIKey of 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride?
The InChIKey is NSOVBRDMPAKSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2.2ClH/c10-9(11)2-5-13(6-3-9)8-1-4-12-7-8;;/h8,12H,1-7H2;2*1H.
What are the key properties of 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride?
4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride has a molecular weight of 263.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride is sourced from PubChem (CID 155895977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).