tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate

C16H23N5O2 — CID 169325609

IUPACtert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccccc2N=[N+]=[N-])CC1
InChIInChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)18-12-8-10-21(11-9-12)14-7-5-4-6-13(14)19-20-17/h4-7,12H,8-11H2,1-3H3,(H,18,22)
InChIKeyKQKPWUPWLVJPRF-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.12
Rot. Bonds3

About tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate (PubChem CID 169325609) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate
PubChem CID169325609
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Nametert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccccc2N=[N+]=[N-])CC1
InChIInChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)18-12-8-10-21(11-9-12)14-7-5-4-6-13(14)19-20-17/h4-7,12H,8-11H2,1-3H3,(H,18,22)
InChIKeyKQKPWUPWLVJPRF-UHFFFAOYSA-N
XLogP4.12
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
CID 67417632
tert-butyl N-[(3S)-1-(2-isothiocyanatophenyl)piperidin-3-yl]carbamate
CID 140648978
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-(1-sulfanyl-2,3,4,5-tetrahydro-1-benzazepin-4-yl)carbamate
CID 91230280
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-methylsulfonylbenzoate
CID 19377890
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
tert-butyl N-[1-[2-(diaminomethylidenecarbamoyl)-3-methylsulfonylphenyl]piperidin-4-yl]carbamate
CID 19377830
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[1-(4-methyl-2-nitrophenyl)piperidin-4-yl]carbamate
CID 69042348
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate (CID 169325609) is tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccccc2N=[N+]=[N-])CC1.
What is the InChIKey of tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate?
The InChIKey is KQKPWUPWLVJPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,3)23-15(22)18-12-8-10-21(11-9-12)14-7-5-4-6-13(14)19-20-17/h4-7,12H,8-11H2,1-3H3,(H,18,22).
What are the key properties of tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 169325609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).