1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine

C16H26N4 — CID 95715719

IUPAC1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
SMILESCc1cc(N2CCN(C[C@H]3CCNC3)CC2)cc(C)n1
InChIInChI=1S/C16H26N4/c1-13-9-16(10-14(2)18-13)20-7-5-19(6-8-20)12-15-3-4-17-11-15/h9-10,15,17H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyAOAGKSJTTSTKTD-HNNXBMFYSA-N
MW274.41 g/mol
LogP1.43
Rot. Bonds3

About 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine

1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine (PubChem CID 95715719) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
PubChem CID95715719
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
SMILESCc1cc(N2CCN(C[C@H]3CCNC3)CC2)cc(C)n1
InChIInChI=1S/C16H26N4/c1-13-9-16(10-14(2)18-13)20-7-5-19(6-8-20)12-15-3-4-17-11-15/h9-10,15,17H,3-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyAOAGKSJTTSTKTD-HNNXBMFYSA-N
XLogP1.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[3-(2-methoxyethoxy)-4-methylphenyl]-4-(piperidin-3-ylmethyl)piperazine
CID 175944951
3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172910434
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
CID 120850002
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 56882461
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine (CID 95715719) is 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine is Cc1cc(N2CCN(C[C@H]3CCNC3)CC2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine?
The InChIKey is AOAGKSJTTSTKTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-9-16(10-14(2)18-13)20-7-5-19(6-8-20)12-15-3-4-17-11-15/h9-10,15,17H,3-8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine?
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 95715719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).