tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate

C17H23N5O3 — CID 23019436

IUPACtert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)25-16(23)22-10-8-14(9-11-22)24-13-6-4-12(5-7-13)15-18-20-21-19-15/h4-7,14H,8-11H2,1-3H3,(H,18,19,20,21)
InChIKeySALDICJDCUGFDY-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.64
Rot. Bonds3

About tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate (PubChem CID 23019436) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate
PubChem CID23019436
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Nametert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)25-16(23)22-10-8-14(9-11-22)24-13-6-4-12(5-7-13)15-18-20-21-19-15/h4-7,14H,8-11H2,1-3H3,(H,18,19,20,21)
InChIKeySALDICJDCUGFDY-UHFFFAOYSA-N
XLogP2.64
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413
tert-butyl 4-(4-bromosulfanylphenoxy)piperidine-1-carboxylate
CID 18700263
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]piperidine-1-carboxylate
CID 142898406
tert-butyl 4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carboxylate
CID 11212544
tert-butyl 4-[4-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenoxy]piperidine-1-carboxylate
CID 91229565
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
2-methoxy-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 70065571
tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate;4-(4-nitrophenoxy)piperidine
CID 161229306
tert-butyl 4-[4-(3-oxo-5-pyridin-2-yl-4,5-dihydro-2H-pyridin-6-yl)phenoxy]piperidine-1-carboxylate
CID 58522855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate (CID 23019436) is tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate?
The InChIKey is SALDICJDCUGFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-17(2,3)25-16(23)22-10-8-14(9-11-22)24-13-6-4-12(5-7-13)15-18-20-21-19-15/h4-7,14H,8-11H2,1-3H3,(H,18,19,20,21).
What are the key properties of tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2H-tetrazol-5-yl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 23019436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).