1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride

C10H20ClN5O — CID 69090323

IUPAC1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride
SMILESCC1(C)CC(c2nn[nH]n2)CC(C)(C)N1O.Cl
InChIInChI=1S/C10H19N5O.ClH/c1-9(2)5-7(8-11-13-14-12-8)6-10(3,4)15(9)16;/h7,16H,5-6H2,1-4H3,(H,11,12,13,14);1H
InChIKeyRCNVBYYEQDGOKE-UHFFFAOYSA-N
MW261.76 g/mol
LogP1.75
Rot. Bonds1

About 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride

1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride (PubChem CID 69090323) has the molecular formula C10H20ClN5O and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride
PubChem CID69090323
Molecular FormulaC10H20ClN5O
Molecular Weight261.76 g/mol
Exact Mass261.14
IUPAC Name1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride
SMILESCC1(C)CC(c2nn[nH]n2)CC(C)(C)N1O.Cl
InChIInChI=1S/C10H19N5O.ClH/c1-9(2)5-7(8-11-13-14-12-8)6-10(3,4)15(9)16;/h7,16H,5-6H2,1-4H3,(H,11,12,13,14);1H
InChIKeyRCNVBYYEQDGOKE-UHFFFAOYSA-N
XLogP1.75
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride (CID 69090323) is 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride is CC1(C)CC(c2nn[nH]n2)CC(C)(C)N1O.Cl.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride?
The InChIKey is RCNVBYYEQDGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O.ClH/c1-9(2)5-7(8-11-13-14-12-8)6-10(3,4)15(9)16;/h7,16H,5-6H2,1-4H3,(H,11,12,13,14);1H.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride?
1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride has a molecular weight of 261.76 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethyl-4-(2H-tetrazol-5-yl)piperidine;hydrochloride is sourced from PubChem (CID 69090323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).