piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride

C9H18ClN3O — CID 17406260

IUPACpiperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCCC1)N1CCNCC1
InChIInChI=1S/C9H17N3O.ClH/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12;/h10H,1-8H2;1H
InChIKeyVMABBZQNUMMGEB-UHFFFAOYSA-N
MW219.72 g/mol
LogP0.53
Rot. Bonds

About piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride

piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 17406260) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride
PubChem CID17406260
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Namepiperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride
SMILESCl.O=C(N1CCCC1)N1CCNCC1
InChIInChI=1S/C9H17N3O.ClH/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12;/h10H,1-8H2;1H
InChIKeyVMABBZQNUMMGEB-UHFFFAOYSA-N
XLogP0.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride (CID 17406260) is piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride is Cl.O=C(N1CCCC1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is VMABBZQNUMMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c13-9(11-5-1-2-6-11)12-7-3-10-4-8-12;/h10H,1-8H2;1H.
What are the key properties of piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride?
piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl(pyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 17406260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).