(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol

C14H20N6O2 — CID 30868634

IUPAC(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCOc1cc(N2CCC(n3cc([C@@H](C)O)nn3)CC2)ncn1
InChIInChI=1S/C14H20N6O2/c1-10(21)12-8-20(18-17-12)11-3-5-19(6-4-11)13-7-14(22-2)16-9-15-13/h7-11,21H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyVDUJNCNTRKHLHP-SNVBAGLBSA-N
MW304.35 g/mol
LogP0.97
Rot. Bonds4

About (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol

(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 30868634) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID30868634
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
SMILESCOc1cc(N2CCC(n3cc([C@@H](C)O)nn3)CC2)ncn1
InChIInChI=1S/C14H20N6O2/c1-10(21)12-8-20(18-17-12)11-3-5-19(6-4-11)13-7-14(22-2)16-9-15-13/h7-11,21H,3-6H2,1-2H3/t10-/m1/s1
InChIKeyVDUJNCNTRKHLHP-SNVBAGLBSA-N
XLogP0.97
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
CID 138008300
[1-[(3S)-1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
CID 164638817
(1-{[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 28854477
[1-[[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154890153
2-(1-{[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)-2-propanol
CID 29026321
(2R)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
CID 29214694
(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
CID 29214697
3-{1-[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}-1-propanol
CID 29215484
(1S)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
CID 30868637
4-methoxy-2-{4-[4-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}pyrimidine
CID 30877050
4-methoxy-6-{4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}pyrimidine bis(trifluoroacetate)
CID 31125462
(1R)-1-[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]ethanol
CID 31223920

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol (CID 30868634) is (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol is COc1cc(N2CCC(n3cc([C@@H](C)O)nn3)CC2)ncn1.
What is the InChIKey of (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is VDUJNCNTRKHLHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10(21)12-8-20(18-17-12)11-3-5-19(6-4-11)13-7-14(22-2)16-9-15-13/h7-11,21H,3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol?
(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 304.35 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 30868634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).