1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine

C20H30N6 — CID 124750539

IUPAC1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
SMILESCc1nc([C@@H]2CCCN(CCN3CCN(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H30N6/c1-17-21-20(23-22-17)18-6-5-9-25(16-18)11-10-24-12-14-26(15-13-24)19-7-3-2-4-8-19/h2-4,7-8,18H,5-6,9-16H2,1H3,(H,21,22,23)/t18-/m1/s1
InChIKeyDGDRMBIKDQEBRM-GOSISDBHSA-N
MW354.50 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine

1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine (PubChem CID 124750539) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
PubChem CID124750539
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
SMILESCc1nc([C@@H]2CCCN(CCN3CCN(c4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H30N6/c1-17-21-20(23-22-17)18-6-5-9-25(16-18)11-10-24-12-14-26(15-13-24)19-7-3-2-4-8-19/h2-4,7-8,18H,5-6,9-16H2,1H3,(H,21,22,23)/t18-/m1/s1
InChIKeyDGDRMBIKDQEBRM-GOSISDBHSA-N
XLogP2.11
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine with MolForge

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Related Compounds

1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 96542307
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine
CID 99999435
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]quinoxaline
CID 146045794
N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 166236847
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 53192155
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine (CID 124750539) is 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine is Cc1nc([C@@H]2CCCN(CCN3CCN(c4ccccc4)CC3)C2)n[nH]1.
What is the InChIKey of 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
The InChIKey is DGDRMBIKDQEBRM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N6/c1-17-21-20(23-22-17)18-6-5-9-25(16-18)11-10-24-12-14-26(15-13-24)19-7-3-2-4-8-19/h2-4,7-8,18H,5-6,9-16H2,1H3,(H,21,22,23)/t18-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine?
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine has a molecular weight of 354.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine is sourced from PubChem (CID 124750539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).