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

C21H29N5 — CID 163885662

IUPAC1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2ncccc2N2CCN(C)CC2)N1
InChIInChI=1S/C21H29N5/c1-16-6-4-10-22-20(16)17-7-3-8-18(24-17)21-19(9-5-11-23-21)26-14-12-25(2)13-15-26/h4-6,9-11,17-18,24H,3,7-8,12-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyPXCKUIOSPSGCFX-ZWKOTPCHSA-N
MW351.50 g/mol
LogP3.09
Rot. Bonds3

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

1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine (PubChem CID 163885662) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
PubChem CID163885662
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2ncccc2N2CCN(C)CC2)N1
InChIInChI=1S/C21H29N5/c1-16-6-4-10-22-20(16)17-7-3-8-18(24-17)21-19(9-5-11-23-21)26-14-12-25(2)13-15-26/h4-6,9-11,17-18,24H,3,7-8,12-15H2,1-2H3/t17-,18+/m0/s1
InChIKeyPXCKUIOSPSGCFX-ZWKOTPCHSA-N
XLogP3.09
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine with MolForge

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Launch Full Analysis

Related Compounds

4-(1-methylpiperidin-4-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
CID 154620200
2-[(2S,6R)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 145424524
3-chloro-5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 146555508
7-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-3H-indole
CID 159475991
3-chloro-5-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 146555557
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
3-methyl-2-[(2S)-6-[1-(3-pyridin-2-ylpropyl)imidazol-2-yl]piperidin-2-yl]pyridine
CID 154620137
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
3-chloropyridine;2-[6-(3-chloro-2-pyridinyl)piperidin-2-yl]-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;piperidine
CID 145424790
1-[1-bromo-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazol-4-yl]-4-methylpiperazine
CID 172743844
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine (CID 163885662) is 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine is Cc1cccnc1[C@@H]1CCC[C@H](c2ncccc2N2CCN(C)CC2)N1.
What is the InChIKey of 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine?
The InChIKey is PXCKUIOSPSGCFX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H29N5/c1-16-6-4-10-22-20(16)17-7-3-8-18(24-17)21-19(9-5-11-23-21)26-14-12-25(2)13-15-26/h4-6,9-11,17-18,24H,3,7-8,12-15H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine?
1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine has a molecular weight of 351.50 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]piperazine is sourced from PubChem (CID 163885662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).