6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride

C12H21ClN2O — CID 119470839

IUPAC6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1C2CCCC21.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-8-7-13-5-6-14(8)12(15)11-9-3-2-4-10(9)11;/h8-11,13H,2-7H2,1H3;1H
InChIKeyGOGSATONXKLYDV-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.27
Rot. Bonds1

About 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride

6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119470839) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119470839
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1C2CCCC21.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-8-7-13-5-6-14(8)12(15)11-9-3-2-4-10(9)11;/h8-11,13H,2-7H2,1H3;1H
InChIKeyGOGSATONXKLYDV-UHFFFAOYSA-N
XLogP1.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704835
2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472321
(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
CID 119473712
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
6-bicyclo[3.1.0]hexanyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880027
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 130877423
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82745694
(2-methylpiperazin-1-yl)-(thian-2-yl)methanone
CID 80596524
5-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 119470987
7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone
CID 81479273

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119470839) is 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)C1C2CCCC21.Cl.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is GOGSATONXKLYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c1-8-7-13-5-6-14(8)12(15)11-9-3-2-4-10(9)11;/h8-11,13H,2-7H2,1H3;1H.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119470839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).