1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine

C9H16F2N4 — CID 121202516

IUPAC1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine
SMILESCC(F)(F)C1CCCN(CCN=[N+]=[N-])C1
InChIInChI=1S/C9H16F2N4/c1-9(10,11)8-3-2-5-15(7-8)6-4-13-14-12/h8H,2-7H2,1H3
InChIKeyIPBUMHKYTNMLOI-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine

1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine (PubChem CID 121202516) has the molecular formula C9H16F2N4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine
PubChem CID121202516
Molecular FormulaC9H16F2N4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine
SMILESCC(F)(F)C1CCCN(CCN=[N+]=[N-])C1
InChIInChI=1S/C9H16F2N4/c1-9(10,11)8-3-2-5-15(7-8)6-4-13-14-12/h8H,2-7H2,1H3
InChIKeyIPBUMHKYTNMLOI-UHFFFAOYSA-N
XLogP2.66
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
CID 129499448
2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
CID 121202515
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
2-(2-azidoethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63150601
1-(2-azidoethyl)azocane
CID 61396856
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
(3S)-1-(2-azidoethyl)-3-(fluoromethyl)pyrrolidine
CID 129495684
1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine
CID 121201139
1-(2-azidoethyl)-4-methylpiperidine
CID 61396689
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
5-(2-azidoethyl)-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
CID 121204508
(3aR,6aR)-5-(2-azidoethyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 129494104

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine?
The IUPAC name of 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine (CID 121202516) is 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine.
What is the SMILES notation for 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine?
The canonical SMILES for 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine is CC(F)(F)C1CCCN(CCN=[N+]=[N-])C1.
What is the InChIKey of 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine?
The InChIKey is IPBUMHKYTNMLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4/c1-9(10,11)8-3-2-5-15(7-8)6-4-13-14-12/h8H,2-7H2,1H3.
What are the key properties of 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine?
1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine has a molecular weight of 218.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine is sourced from PubChem (CID 121202516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).