(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride

C10H21Cl2N3O — CID 165429624

IUPAC(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCN1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C10H19N3O.2ClH/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9;;/h9,11H,2-8H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyZMPJFGLMRARQFW-WWPIYYJJSA-N
MW270.20 g/mol
LogP0.36
Rot. Bonds1

About (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride

(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride (PubChem CID 165429624) has the molecular formula C10H21Cl2N3O and a molecular weight of 270.20 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
PubChem CID165429624
Molecular FormulaC10H21Cl2N3O
Molecular Weight270.20 g/mol
Exact Mass269.11
IUPAC Name(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
SMILESCN1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C10H19N3O.2ClH/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9;;/h9,11H,2-8H2,1H3;2*1H/t9-;;/m0../s1
InChIKeyZMPJFGLMRARQFW-WWPIYYJJSA-N
XLogP0.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carbaldehyde;hydrochloride
CID 175528079
(4-tert-butylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103814108
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
(4-tert-butylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61430596
2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The IUPAC name of (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride (CID 165429624) is (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride is CN1CCN(C(=O)[C@@H]2CCCN2)CC1.Cl.Cl.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
The InChIKey is ZMPJFGLMRARQFW-WWPIYYJJSA-N. The full InChI is InChI=1S/C10H19N3O.2ClH/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9;;/h9,11H,2-8H2,1H3;2*1H/t9-;;/m0../s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride?
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride has a molecular weight of 270.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride is sourced from PubChem (CID 165429624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).