(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine

C16H20N8 — CID 95309762

IUPAC(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ccc(-n2nnnc2CN2CCC[C@H](Cn3cncn3)C2)cc1
InChIInChI=1S/C16H20N8/c1-2-6-15(7-3-1)24-16(19-20-21-24)11-22-8-4-5-14(9-22)10-23-13-17-12-18-23/h1-3,6-7,12-14H,4-5,8-11H2/t14-/m0/s1
InChIKeyWVYKORJMVBTGNN-AWEZNQCLSA-N
MW324.39 g/mol
LogP1.17
Rot. Bonds5

About (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine

(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 95309762) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID95309762
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESc1ccc(-n2nnnc2CN2CCC[C@H](Cn3cncn3)C2)cc1
InChIInChI=1S/C16H20N8/c1-2-6-15(7-3-1)24-16(19-20-21-24)11-22-8-4-5-14(9-22)10-23-13-17-12-18-23/h1-3,6-7,12-14H,4-5,8-11H2/t14-/m0/s1
InChIKeyWVYKORJMVBTGNN-AWEZNQCLSA-N
XLogP1.17
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-1-[(1-butyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95309829
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95333284
ethyl (3R)-1-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxylate
CID 31314529
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
2-methyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95325530
2-(2-methoxyphenyl)-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 99578901
(2R)-4-[(1-phenyltetrazol-5-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95280498
2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95314246
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine (CID 95309762) is (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine is c1ccc(-n2nnnc2CN2CCC[C@H](Cn3cncn3)C2)cc1.
What is the InChIKey of (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is WVYKORJMVBTGNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N8/c1-2-6-15(7-3-1)24-16(19-20-21-24)11-22-8-4-5-14(9-22)10-23-13-17-12-18-23/h1-3,6-7,12-14H,4-5,8-11H2/t14-/m0/s1.
What are the key properties of (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine?
(3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 324.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-phenyltetrazol-5-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 95309762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).