1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride

C10H20Cl2N2O — CID 155973196

IUPAC1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CC1CCNCC1
InChIInChI=1S/C10H18N2O.2ClH/c13-10-2-1-7-12(10)8-9-3-5-11-6-4-9;;/h9,11H,1-8H2;2*1H
InChIKeyMVUHKBXKIMBEMH-UHFFFAOYSA-N
MW255.19 g/mol
LogP1.45
Rot. Bonds2

About 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride

1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride (PubChem CID 155973196) has the molecular formula C10H20Cl2N2O and a molecular weight of 255.19 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
PubChem CID155973196
Molecular FormulaC10H20Cl2N2O
Molecular Weight255.19 g/mol
Exact Mass254.10
IUPAC Name1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1CCCN1CC1CCNCC1
InChIInChI=1S/C10H18N2O.2ClH/c13-10-2-1-7-12(10)8-9-3-5-11-6-4-9;;/h9,11H,1-8H2;2*1H
InChIKeyMVUHKBXKIMBEMH-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride (CID 155973196) is 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1CCCN1CC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride?
The InChIKey is MVUHKBXKIMBEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.2ClH/c13-10-2-1-7-12(10)8-9-3-5-11-6-4-9;;/h9,11H,1-8H2;2*1H.
What are the key properties of 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride?
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride has a molecular weight of 255.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 155973196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).