1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine

C15H30N5OP — CID 167865382

IUPAC1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine
SMILESCC(C)(C)n1nnc(CN2CCC(CCP(C)(C)=O)CC2)n1
InChIInChI=1S/C15H30N5OP/c1-15(2,3)20-17-14(16-18-20)12-19-9-6-13(7-10-19)8-11-22(4,5)21/h13H,6-12H2,1-5H3
InChIKeyITXPDOAEKHHQHJ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.65
Rot. Bonds5

About 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine

1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine (PubChem CID 167865382) has the molecular formula C15H30N5OP and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine.

Molecular Properties

Compound Name1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine
PubChem CID167865382
Molecular FormulaC15H30N5OP
Molecular Weight327.41 g/mol
Exact Mass327.22
IUPAC Name1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine
SMILESCC(C)(C)n1nnc(CN2CCC(CCP(C)(C)=O)CC2)n1
InChIInChI=1S/C15H30N5OP/c1-15(2,3)20-17-14(16-18-20)12-19-9-6-13(7-10-19)8-11-22(4,5)21/h13H,6-12H2,1-5H3
InChIKeyITXPDOAEKHHQHJ-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine?
The IUPAC name of 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine (CID 167865382) is 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine.
What is the SMILES notation for 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine?
The canonical SMILES for 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine is CC(C)(C)n1nnc(CN2CCC(CCP(C)(C)=O)CC2)n1.
What is the InChIKey of 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine?
The InChIKey is ITXPDOAEKHHQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N5OP/c1-15(2,3)20-17-14(16-18-20)12-19-9-6-13(7-10-19)8-11-22(4,5)21/h13H,6-12H2,1-5H3.
What are the key properties of 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine?
1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine has a molecular weight of 327.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyltetrazol-5-yl)methyl]-4-(2-dimethylphosphorylethyl)piperidine is sourced from PubChem (CID 167865382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).