(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine

C7H13N5 — CID 70338968

IUPAC(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine
SMILESC[C@@H]1CCN[C@@H](c2nn[nH]n2)C1
InChIInChI=1S/C7H13N5/c1-5-2-3-8-6(4-5)7-9-11-12-10-7/h5-6,8H,2-4H2,1H3,(H,9,10,11,12)/t5-,6-/m1/s1
InChIKeyPXQJBPSQMLIVRT-PHDIDXHHSA-N
MW167.22 g/mol
LogP0.26
Rot. Bonds1

About (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine

(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine (PubChem CID 70338968) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine
PubChem CID70338968
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine
SMILESC[C@@H]1CCN[C@@H](c2nn[nH]n2)C1
InChIInChI=1S/C7H13N5/c1-5-2-3-8-6(4-5)7-9-11-12-10-7/h5-6,8H,2-4H2,1H3,(H,9,10,11,12)/t5-,6-/m1/s1
InChIKeyPXQJBPSQMLIVRT-PHDIDXHHSA-N
XLogP0.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine (CID 70338968) is (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine is C[C@@H]1CCN[C@@H](c2nn[nH]n2)C1.
What is the InChIKey of (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine?
The InChIKey is PXQJBPSQMLIVRT-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13N5/c1-5-2-3-8-6(4-5)7-9-11-12-10-7/h5-6,8H,2-4H2,1H3,(H,9,10,11,12)/t5-,6-/m1/s1.
What are the key properties of (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine?
(2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine has a molecular weight of 167.22 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methyl-2-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 70338968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).