1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol

C17H27N5O — CID 126894080

IUPAC1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol
SMILESOC1(CN2CC(N3CCN(c4ncccn4)CC3)C2)CCCC1
InChIInChI=1S/C17H27N5O/c23-17(4-1-2-5-17)14-20-12-15(13-20)21-8-10-22(11-9-21)16-18-6-3-7-19-16/h3,6-7,15,23H,1-2,4-5,8-14H2
InChIKeyXDYANAPQMQHIMF-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.59
Rot. Bonds4

About 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol

1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol (PubChem CID 126894080) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol
PubChem CID126894080
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol
SMILESOC1(CN2CC(N3CCN(c4ncccn4)CC3)C2)CCCC1
InChIInChI=1S/C17H27N5O/c23-17(4-1-2-5-17)14-20-12-15(13-20)21-8-10-22(11-9-21)16-18-6-3-7-19-16/h3,6-7,15,23H,1-2,4-5,8-14H2
InChIKeyXDYANAPQMQHIMF-UHFFFAOYSA-N
XLogP0.59
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893977
[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
CID 62262303
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 111331567
3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126893920
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 65212460
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126893918
2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine
CID 126894005
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 63723420
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol (CID 126894080) is 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol is OC1(CN2CC(N3CCN(c4ncccn4)CC3)C2)CCCC1.
What is the InChIKey of 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol?
The InChIKey is XDYANAPQMQHIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(4-1-2-5-17)14-20-12-15(13-20)21-8-10-22(11-9-21)16-18-6-3-7-19-16/h3,6-7,15,23H,1-2,4-5,8-14H2.
What are the key properties of 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol?
1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol has a molecular weight of 317.44 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]cyclopentan-1-ol is sourced from PubChem (CID 126894080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).