1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol

C14H22N4O — CID 163350924

IUPAC1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
SMILESCc1ccnc(N2CCN(CC3(O)CCC3)CC2)n1
InChIInChI=1S/C14H22N4O/c1-12-3-6-15-13(16-12)18-9-7-17(8-10-18)11-14(19)4-2-5-14/h3,6,19H,2,4-5,7-11H2,1H3
InChIKeyNGTQHICAGDMZJT-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.82
Rot. Bonds3

About 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol

1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol (PubChem CID 163350924) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
PubChem CID163350924
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
SMILESCc1ccnc(N2CCN(CC3(O)CCC3)CC2)n1
InChIInChI=1S/C14H22N4O/c1-12-3-6-15-13(16-12)18-9-7-17(8-10-18)11-14(19)4-2-5-14/h3,6,19H,2,4-5,7-11H2,1H3
InChIKeyNGTQHICAGDMZJT-UHFFFAOYSA-N
XLogP0.82
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350972
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
CID 133304383
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 63124110
4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 171327906
2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800537
1-[[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 110115532
1-[[4-methyl-4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 95826919
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol (CID 163350924) is 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol is Cc1ccnc(N2CCN(CC3(O)CCC3)CC2)n1.
What is the InChIKey of 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
The InChIKey is NGTQHICAGDMZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12-3-6-15-13(16-12)18-9-7-17(8-10-18)11-14(19)4-2-5-14/h3,6,19H,2,4-5,7-11H2,1H3.
What are the key properties of 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol?
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 163350924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).