(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride

C10H18ClFN2O — CID 74890104

IUPAC(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCCC1)C1(F)CCNCC1
InChIInChI=1S/C10H17FN2O.ClH/c11-10(3-5-12-6-4-10)9(14)13-7-1-2-8-13;/h12H,1-8H2;1H
InChIKeyYYBUPWBWXCPPGL-UHFFFAOYSA-N
MW236.72 g/mol
LogP1.12
Rot. Bonds1

About (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride

(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 74890104) has the molecular formula C10H18ClFN2O and a molecular weight of 236.72 g/mol. Its IUPAC name is (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID74890104
Molecular FormulaC10H18ClFN2O
Molecular Weight236.72 g/mol
Exact Mass236.11
IUPAC Name(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCCC1)C1(F)CCNCC1
InChIInChI=1S/C10H17FN2O.ClH/c11-10(3-5-12-6-4-10)9(14)13-7-1-2-8-13;/h12H,1-8H2;1H
InChIKeyYYBUPWBWXCPPGL-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride (CID 74890104) is (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride is Cl.O=C(N1CCCC1)C1(F)CCNCC1.
What is the InChIKey of (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is YYBUPWBWXCPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O.ClH/c11-10(3-5-12-6-4-10)9(14)13-7-1-2-8-13;/h12H,1-8H2;1H.
What are the key properties of (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride?
(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 74890104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).