[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol

C11H22N2O — CID 141428112

IUPAC[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol
SMILESCN1CCN(C[C@H]2CC[C@H]2CO)CC1
InChIInChI=1S/C11H22N2O/c1-12-4-6-13(7-5-12)8-10-2-3-11(10)9-14/h10-11,14H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyRVWGGECVXSPLNL-MNOVXSKESA-N
MW198.31 g/mol
LogP0.25
Rot. Bonds3

About [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol

[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol (PubChem CID 141428112) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol
PubChem CID141428112
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol
SMILESCN1CCN(C[C@H]2CC[C@H]2CO)CC1
InChIInChI=1S/C11H22N2O/c1-12-4-6-13(7-5-12)8-10-2-3-11(10)9-14/h10-11,14H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyRVWGGECVXSPLNL-MNOVXSKESA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-ol
CID 62609875
[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 104550202
[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 72935082
2-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-ol
CID 62610755
[2-(morpholin-4-ylmethyl)cyclopentyl]methanol
CID 104550188
1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine
CID 126739578
[(3R,4R)-1-[1-(4-fluorophenyl)piperidin-4-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72907482
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70716708
[1-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-3-yl]methanol
CID 82892499
[(3R,4R)-1-[3-(dimethylamino)pyrazin-2-yl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72838441
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708673
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol (CID 141428112) is [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol is CN1CCN(C[C@H]2CC[C@H]2CO)CC1.
What is the InChIKey of [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol?
The InChIKey is RVWGGECVXSPLNL-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-4-6-13(7-5-12)8-10-2-3-11(10)9-14/h10-11,14H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol?
[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol has a molecular weight of 198.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 141428112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).