4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride

C9H18Cl2F2N2 — CID 53488019

IUPAC4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride
SMILESCl.Cl.FC1(F)CCN(C2CCNCC2)C1
InChIInChI=1S/C9H16F2N2.2ClH/c10-9(11)3-6-13(7-9)8-1-4-12-5-2-8;;/h8,12H,1-7H2;2*1H
InChIKeyKAMWXMDDOJQUNV-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.92
Rot. Bonds1

About 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride

4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride (PubChem CID 53488019) has the molecular formula C9H18Cl2F2N2 and a molecular weight of 263.16 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride
PubChem CID53488019
Molecular FormulaC9H18Cl2F2N2
Molecular Weight263.16 g/mol
Exact Mass262.08
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride
SMILESCl.Cl.FC1(F)CCN(C2CCNCC2)C1
InChIInChI=1S/C9H16F2N2.2ClH/c10-9(11)3-6-13(7-9)8-1-4-12-5-2-8;;/h8,12H,1-7H2;2*1H
InChIKeyKAMWXMDDOJQUNV-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride (CID 53488019) is 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride is Cl.Cl.FC1(F)CCN(C2CCNCC2)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride?
The InChIKey is KAMWXMDDOJQUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2.2ClH/c10-9(11)3-6-13(7-9)8-1-4-12-5-2-8;;/h8,12H,1-7H2;2*1H.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride?
4-(3,3-difluoropyrrolidin-1-yl)piperidine;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-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride is sourced from PubChem (CID 53488019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).