4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine

C17H26N4O2 — CID 86626725

IUPAC4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine
SMILESCOC1(CN=[N+]=[N-])CCN(CCOCCc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-22-17(15-19-20-18)8-10-21(11-9-17)12-14-23-13-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyOCWHSRQEXWCESC-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.04
Rot. Bonds9

About 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine

4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine (PubChem CID 86626725) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine
PubChem CID86626725
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine
SMILESCOC1(CN=[N+]=[N-])CCN(CCOCCc2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-22-17(15-19-20-18)8-10-21(11-9-17)12-14-23-13-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeyOCWHSRQEXWCESC-UHFFFAOYSA-N
XLogP3.04
TPSA70.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine
CID 141183268
6-[3-(2-phenylethoxy)propyl]-1-oxa-6-azaspiro[2.5]octane
CID 87590661
1-[2-(2-phenylethoxy)ethyl]piperidin-4-one
CID 68828886
benzyl 4-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]piperazine-1-carboxylate
CID 163769676
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
4-(6-azidohexoxy)butylbenzene
CID 10967751
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
3-(azidomethyl)-1-benzyl-3-chloropyrrolidin-2-one
CID 132596319
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine?
The IUPAC name of 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine (CID 86626725) is 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine.
What is the SMILES notation for 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine?
The canonical SMILES for 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine is COC1(CN=[N+]=[N-])CCN(CCOCCc2ccccc2)CC1.
What is the InChIKey of 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine?
The InChIKey is OCWHSRQEXWCESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-22-17(15-19-20-18)8-10-21(11-9-17)12-14-23-13-7-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine?
4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine has a molecular weight of 318.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-4-methoxy-1-[2-(2-phenylethoxy)ethyl]piperidine is sourced from PubChem (CID 86626725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).