2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol

C13H21N3O2 — CID 172899245

IUPAC2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
SMILESCOc1cc(N2CCC(C(C)(C)O)CC2)ncn1
InChIInChI=1S/C13H21N3O2/c1-13(2,17)10-4-6-16(7-5-10)11-8-12(18-3)15-9-14-11/h8-10,17H,4-7H2,1-3H3
InChIKeyYDQPVSCWVPLUDD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds3

About 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol

2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol (PubChem CID 172899245) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
PubChem CID172899245
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
SMILESCOc1cc(N2CCC(C(C)(C)O)CC2)ncn1
InChIInChI=1S/C13H21N3O2/c1-13(2,17)10-4-6-16(7-5-10)11-8-12(18-3)15-9-14-11/h8-10,17H,4-7H2,1-3H3
InChIKeyYDQPVSCWVPLUDD-UHFFFAOYSA-N
XLogP1.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3-methylpiperidin-1-yl)-6-methoxypyrimidine
CID 114682611
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol
CID 172899246
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 66318068
6-[4-(2-methoxypropan-2-yl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 166315850
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
N-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 171993839
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol (CID 172899245) is 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol is COc1cc(N2CCC(C(C)(C)O)CC2)ncn1.
What is the InChIKey of 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is YDQPVSCWVPLUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,17)10-4-6-16(7-5-10)11-8-12(18-3)15-9-14-11/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol?
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 172899245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).