2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine

C19H29N7 — CID 31161132

IUPAC2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cn(C2CCN(c3cnccn3)CC2)nn1
InChIInChI=1S/C19H29N7/c1-15-4-3-5-16(2)25(15)13-17-14-26(23-22-17)18-6-10-24(11-7-18)19-12-20-8-9-21-19/h8-9,12,14-16,18H,3-7,10-11,13H2,1-2H3/t15-,16+
InChIKeyKGOUFHALWNQEMU-IYBDPMFKSA-N
MW355.49 g/mol
LogP2.67
Rot. Bonds4

About 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine

2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine (PubChem CID 31161132) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine
PubChem CID31161132
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cn(C2CCN(c3cnccn3)CC2)nn1
InChIInChI=1S/C19H29N7/c1-15-4-3-5-16(2)25(15)13-17-14-26(23-22-17)18-6-10-24(11-7-18)19-12-20-8-9-21-19/h8-9,12,14-16,18H,3-7,10-11,13H2,1-2H3/t15-,16+
InChIKeyKGOUFHALWNQEMU-IYBDPMFKSA-N
XLogP2.67
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine with MolForge

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Related Compounds

2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95294862
2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 154890440
2-(Piperidin-1-ylmethyl)-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 90719795
N,N-dimethyl-1-[[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methyl]piperidin-4-amine
CID 123261126
2-[(2,3-Dimethylidene-4-propylpiperazin-1-yl)methyl]-5-(triazol-2-yl)pyrazine;ethene
CID 166103927
N-({1-[1-(3-methyl-2-pyrazinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)urea trifluoroacetate
CID 28133479
3-[4-(4-butyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2-pyrazinecarbonitrile
CID 29154132
4-[4-(4-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-1-piperidinyl]-2-pyrimidinamine bis(trifluoroacetate)
CID 30853875
1-[(1-{[1-(3,6-dimethyl-2-pyrazinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-4-piperidinamine bis(trifluoroacetate)
CID 31004832
1-{[1-(1-pyrazin-2-ylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}-1,4-diazepane
CID 31126028
1-({1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}methyl)azepane
CID 31162737
4-({1-[1-(2-pyrazinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)morpholine bis(trifluoroacetate)
CID 31193583

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine (CID 31161132) is 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine is C[C@@H]1CCC[C@H](C)N1Cc1cn(C2CCN(c3cnccn3)CC2)nn1.
What is the InChIKey of 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine?
The InChIKey is KGOUFHALWNQEMU-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H29N7/c1-15-4-3-5-16(2)25(15)13-17-14-26(23-22-17)18-6-10-24(11-7-18)19-12-20-8-9-21-19/h8-9,12,14-16,18H,3-7,10-11,13H2,1-2H3/t15-,16+.
What are the key properties of 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine?
2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine has a molecular weight of 355.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 31161132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).