(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride

C10H19ClN2O — CID 166001479

IUPAC(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
SMILESC[C@H]1CN(C(=O)C2(C)CC2)CCN1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-8-7-12(6-5-11-8)9(13)10(2)3-4-10;/h8,11H,3-7H2,1-2H3;1H/t8-;/m0./s1
InChIKeyQTQWLPQCDXPMEY-QRPNPIFTSA-N
MW218.73 g/mol
LogP1.03
Rot. Bonds1

About (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride

(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride (PubChem CID 166001479) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
PubChem CID166001479
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
SMILESC[C@H]1CN(C(=O)C2(C)CC2)CCN1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-8-7-12(6-5-11-8)9(13)10(2)3-4-10;/h8,11H,3-7H2,1-2H3;1H/t8-;/m0./s1
InChIKeyQTQWLPQCDXPMEY-QRPNPIFTSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcyclopentyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426217
[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513712
(3-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513714
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
CID 119635654
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione
CID 166269992
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-methylpiperidin-4-yl)methanone
CID 107217447
cyclopropyl-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81427815
N,N,3-trimethylpiperazine-1-carboxamide
CID 14090595

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride (CID 166001479) is (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride is C[C@H]1CN(C(=O)C2(C)CC2)CCN1.Cl.
What is the InChIKey of (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
The InChIKey is QTQWLPQCDXPMEY-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c1-8-7-12(6-5-11-8)9(13)10(2)3-4-10;/h8,11H,3-7H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride?
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 166001479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).