[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

C14H22N4O2 — CID 62270019

IUPAC[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESOCC1(CN2CCN(c3ncccn3)CC2)CCOC1
InChIInChI=1S/C14H22N4O2/c19-11-14(2-9-20-12-14)10-17-5-7-18(8-6-17)13-15-3-1-4-16-13/h1,3-4,19H,2,5-12H2
InChIKeyWDOCZYWDRIGHOW-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.00
Rot. Bonds4

About [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol

[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (PubChem CID 62270019) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
PubChem CID62270019
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
SMILESOCC1(CN2CCN(c3ncccn3)CC2)CCOC1
InChIInChI=1S/C14H22N4O2/c19-11-14(2-9-20-12-14)10-17-5-7-18(8-6-17)13-15-3-1-4-16-13/h1,3-4,19H,2,5-12H2
InChIKeyWDOCZYWDRIGHOW-UHFFFAOYSA-N
XLogP-0.00
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976492
2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65496738
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
CID 62262303
N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263035
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63005068
3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271743
1-[(2-methyloxan-2-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane;bis(2,2,2-trifluoroacetic acid)
CID 171321301
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62264134
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 63620081

Frequently Asked Questions

What is the IUPAC name of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol (CID 62270019) is [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is OCC1(CN2CCN(c3ncccn3)CC2)CCOC1.
What is the InChIKey of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
The InChIKey is WDOCZYWDRIGHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-11-14(2-9-20-12-14)10-17-5-7-18(8-6-17)13-15-3-1-4-16-13/h1,3-4,19H,2,5-12H2.
What are the key properties of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol?
[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol has a molecular weight of 278.36 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 62270019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).