1-(2-azidoethyl)-4-methylpiperidine

C8H16N4 — CID 61396689

IUPAC1-(2-azidoethyl)-4-methylpiperidine
SMILESCC1CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C8H16N4/c1-8-2-5-12(6-3-8)7-4-10-11-9/h8H,2-7H2,1H3
InChIKeyRFTCMUOMFXRXPQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.03
Rot. Bonds3

About 1-(2-azidoethyl)-4-methylpiperidine

1-(2-azidoethyl)-4-methylpiperidine (PubChem CID 61396689) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-azidoethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-azidoethyl)-4-methylpiperidine
PubChem CID61396689
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(2-azidoethyl)-4-methylpiperidine
SMILESCC1CCN(CCN=[N+]=[N-])CC1
InChIInChI=1S/C8H16N4/c1-8-2-5-12(6-3-8)7-4-10-11-9/h8H,2-7H2,1H3
InChIKeyRFTCMUOMFXRXPQ-UHFFFAOYSA-N
XLogP2.03
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.03
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

1-(2-azidoethyl)-4-ethylpiperazine
CID 61396790
2-[1-(2-azidoethyl)piperidin-4-yl]ethanol
CID 121201308
(3S)-1-(2-azidoethyl)-3-(fluoromethyl)pyrrolidine
CID 129495684
1-(2-azidoethyl)-3,5-dimethyl-1,3,5-triazinane
CID 158521253
1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine
CID 121201139
3-(2-azidoethyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane
CID 130834832
5-(2-azidoethyl)-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
CID 121204508
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
1-(3-azidopropyl)-3,5-dimethylpiperidine
CID 61396749
1-(2-azidoethyl)-4-(methoxymethyl)-4-methylpiperidine
CID 121203109
2-(2-azidoethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63150601
(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)-4-methylpiperidine?
The IUPAC name of 1-(2-azidoethyl)-4-methylpiperidine (CID 61396689) is 1-(2-azidoethyl)-4-methylpiperidine.
What is the SMILES notation for 1-(2-azidoethyl)-4-methylpiperidine?
The canonical SMILES for 1-(2-azidoethyl)-4-methylpiperidine is CC1CCN(CCN=[N+]=[N-])CC1.
What is the InChIKey of 1-(2-azidoethyl)-4-methylpiperidine?
The InChIKey is RFTCMUOMFXRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8-2-5-12(6-3-8)7-4-10-11-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-azidoethyl)-4-methylpiperidine?
1-(2-azidoethyl)-4-methylpiperidine has a molecular weight of 168.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-4-methylpiperidine is sourced from PubChem (CID 61396689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).