1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol

C12H24N2O — CID 131701690

IUPAC1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
SMILESCC(C)N1CCN(CC2(O)CCC2)CC1
InChIInChI=1S/C12H24N2O/c1-11(2)14-8-6-13(7-9-14)10-12(15)4-3-5-12/h11,15H,3-10H2,1-2H3
InChIKeyAYDWDGKASUNTPG-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.93
Rot. Bonds3

About 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol

1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol (PubChem CID 131701690) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
PubChem CID131701690
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
SMILESCC(C)N1CCN(CC2(O)CCC2)CC1
InChIInChI=1S/C12H24N2O/c1-11(2)14-8-6-13(7-9-14)10-12(15)4-3-5-12/h11,15H,3-10H2,1-2H3
InChIKeyAYDWDGKASUNTPG-UHFFFAOYSA-N
XLogP0.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 55048859
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclohexane-1-carbaldehyde
CID 62276780
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
CID 65213503
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
CID 65211110
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
ethane;1-[4-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]heptane-1,6-dione
CID 172576329
N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
CID 62257004
1-[[4-(dimethylamino)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 126856786

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol (CID 131701690) is 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol is CC(C)N1CCN(CC2(O)CCC2)CC1.
What is the InChIKey of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol?
The InChIKey is AYDWDGKASUNTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)14-8-6-13(7-9-14)10-12(15)4-3-5-12/h11,15H,3-10H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol?
1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 131701690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).