(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol

C16H24N6O2 — CID 29214697

IUPAC(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(N2CCC(Cn3cc(C[C@H](C)O)nn3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-12(23)9-14-11-22(20-19-14)10-13-4-7-21(8-5-13)16-17-6-3-15(18-16)24-2/h3,6,11-13,23H,4-5,7-10H2,1-2H3/t12-/m0/s1
InChIKeyMTGGULOEEKOQDY-LBPRGKRZSA-N
MW332.41 g/mol
LogP0.92
Rot. Bonds6

About (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol

(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (PubChem CID 29214697) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
PubChem CID29214697
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(N2CCC(Cn3cc(C[C@H](C)O)nn3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-12(23)9-14-11-22(20-19-14)10-13-4-7-21(8-5-13)16-17-6-3-15(18-16)24-2/h3,6,11-13,23H,4-5,7-10H2,1-2H3/t12-/m0/s1
InChIKeyMTGGULOEEKOQDY-LBPRGKRZSA-N
XLogP0.92
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(1-{[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 28854477
trans-1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-4-(2-pyrazinylmethyl)-3-pyrrolidinol
CID 135092515
1-[1-[[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 154886532
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
3-{1-[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}-1-propanol
CID 29215484
(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
CID 30868634
(1S)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
CID 30868637
1-{1-[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}ethanol
CID 45172289
2-[1-[[1-(4-Methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol
CID 45174205
1-(1-{[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)-2-propanol
CID 45201787
1-(4-Methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128977033

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (CID 29214697) is (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol is COc1ccnc(N2CCC(Cn3cc(C[C@H](C)O)nn3)CC2)n1.
What is the InChIKey of (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The InChIKey is MTGGULOEEKOQDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(23)9-14-11-22(20-19-14)10-13-4-7-21(8-5-13)16-17-6-3-15(18-16)24-2/h3,6,11-13,23H,4-5,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol has a molecular weight of 332.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 29214697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).