(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

C18H26N4 — CID 129381784

IUPAC(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC[C@@H](Cc1ccccc1)CN1CCC[C@H](c2nncn2C)C1
InChIInChI=1S/C18H26N4/c1-15(11-16-7-4-3-5-8-16)12-22-10-6-9-17(13-22)18-20-19-14-21(18)2/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyQTJHQXPAKBJQDZ-RDJZCZTQSA-N
MW298.43 g/mol
LogP2.87
Rot. Bonds5

About (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 129381784) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID129381784
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESC[C@@H](Cc1ccccc1)CN1CCC[C@H](c2nncn2C)C1
InChIInChI=1S/C18H26N4/c1-15(11-16-7-4-3-5-8-16)12-22-10-6-9-17(13-22)18-20-19-14-21(18)2/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyQTJHQXPAKBJQDZ-RDJZCZTQSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170
3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 95111353
(3S)-3-(4-benzyl-1,2,4-triazol-3-yl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine
CID 95111255
[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone
CID 124626295
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-phenylethyl)piperidine
CID 70727688
4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027266
3-benzyl-5-[[3-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 167801523
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 51108750
2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 124883360
dimethyl-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]-phenylsilane
CID 13292194

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 129381784) is (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is C[C@@H](Cc1ccccc1)CN1CCC[C@H](c2nncn2C)C1.
What is the InChIKey of (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QTJHQXPAKBJQDZ-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H26N4/c1-15(11-16-7-4-3-5-8-16)12-22-10-6-9-17(13-22)18-20-19-14-21(18)2/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 298.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 129381784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).