[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol

C19H28N6O — CID 31044638

IUPAC[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(n3cc(CN4CCC[C@@H]4CO)nn3)CC2)ccn1
InChIInChI=1S/C19H28N6O/c1-15-11-18(4-7-20-15)23-9-5-17(6-10-23)25-13-16(21-22-25)12-24-8-2-3-19(24)14-26/h4,7,11,13,17,19,26H,2-3,5-6,8-10,12,14H2,1H3/t19-/m1/s1
InChIKeyMPCMNHDUDDTWDL-LJQANCHMSA-N
MW356.47 g/mol
LogP1.78
Rot. Bonds5

About [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 31044638) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID31044638
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(n3cc(CN4CCC[C@@H]4CO)nn3)CC2)ccn1
InChIInChI=1S/C19H28N6O/c1-15-11-18(4-7-20-15)23-9-5-17(6-10-23)25-13-16(21-22-25)12-24-8-2-3-19(24)14-26/h4,7,11,13,17,19,26H,2-3,5-6,8-10,12,14H2,1H3/t19-/m1/s1
InChIKeyMPCMNHDUDDTWDL-LJQANCHMSA-N
XLogP1.78
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

2-[1-[[(2R,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
CID 23731407
2-(1-isopropyl-4-{[1-(3-pyridinyl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16192159
3-{1-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}-1-propanol
CID 29026785
1-[4-[(4-Phenylpiperazin-1-yl)methyl]triazol-1-yl]hexan-2-ol
CID 46863385
N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961967
[(2S)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-2-yl]methanol
CID 75529298
(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol
CID 168069183
1-(1-phenyl-1H-1,2,3-triazol-4-yl)-N-(2-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)methanamine
CID 56913905
3,3'-(pyridine-2,6-diylbis(1H-1,2,3-triazole-4,1-diyl))bis(propan-1-ol)
CID 102382541
4-[2-(4-Pyridin-2-yltriazol-1-yl)ethyl]morpholine
CID 123707572
4-[(1-Pyridin-3-yltriazol-4-yl)methyl]morpholine
CID 139231913
3-[1-[1-[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol
CID 28465309

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 31044638) is [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol is Cc1cc(N2CCC(n3cc(CN4CCC[C@@H]4CO)nn3)CC2)ccn1.
What is the InChIKey of [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is MPCMNHDUDDTWDL-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-11-18(4-7-20-15)23-9-5-17(6-10-23)25-13-16(21-22-25)12-24-8-2-3-19(24)14-26/h4,7,11,13,17,19,26H,2-3,5-6,8-10,12,14H2,1H3/t19-/m1/s1.
What are the key properties of [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 356.47 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 31044638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).