3-(16-phenylmethoxyhexadecoxy)piperidine

C28H49NO2 — CID 177224611

IUPAC3-(16-phenylmethoxyhexadecoxy)piperidine
SMILESc1ccc(COCCCCCCCCCCCCCCCCOC2CCCNC2)cc1
InChIInChI=1S/C28H49NO2/c1(2-4-6-8-10-12-17-24-31-28-21-18-22-29-25-28)3-5-7-9-11-16-23-30-26-27-19-14-13-15-20-27/h13-15,19-20,28-29H,1-12,16-18,21-26H2
InChIKeyJFBSEQQUTNYASA-UHFFFAOYSA-N
MW431.71 g/mol
LogP7.43
Rot. Bonds20

About 3-(16-phenylmethoxyhexadecoxy)piperidine

3-(16-phenylmethoxyhexadecoxy)piperidine (PubChem CID 177224611) has the molecular formula C28H49NO2 and a molecular weight of 431.71 g/mol. Its IUPAC name is 3-(16-phenylmethoxyhexadecoxy)piperidine.

Molecular Properties

Compound Name3-(16-phenylmethoxyhexadecoxy)piperidine
PubChem CID177224611
Molecular FormulaC28H49NO2
Molecular Weight431.71 g/mol
Exact Mass431.38
IUPAC Name3-(16-phenylmethoxyhexadecoxy)piperidine
SMILESc1ccc(COCCCCCCCCCCCCCCCCOC2CCCNC2)cc1
InChIInChI=1S/C28H49NO2/c1(2-4-6-8-10-12-17-24-31-28-21-18-22-29-25-28)3-5-7-9-11-16-23-30-26-27-19-14-13-15-20-27/h13-15,19-20,28-29H,1-12,16-18,21-26H2
InChIKeyJFBSEQQUTNYASA-UHFFFAOYSA-N
XLogP7.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenylmethoxypropoxy)piperidine
CID 171491541
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
4-phenylmethoxyazepane
CID 63716383
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
2-[2-(piperidin-3-yloxymethyl)phenyl]acetic acid
CID 106939316
3-(phenylmethoxymethoxy)azetidine
CID 106938173
(3S)-3-hept-6-enoxypiperidine
CID 107007733
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
(3R)-3-(4-benzylphenoxy)piperidine
CID 26191511

Frequently Asked Questions

What is the IUPAC name of 3-(16-phenylmethoxyhexadecoxy)piperidine?
The IUPAC name of 3-(16-phenylmethoxyhexadecoxy)piperidine (CID 177224611) is 3-(16-phenylmethoxyhexadecoxy)piperidine.
What is the SMILES notation for 3-(16-phenylmethoxyhexadecoxy)piperidine?
The canonical SMILES for 3-(16-phenylmethoxyhexadecoxy)piperidine is c1ccc(COCCCCCCCCCCCCCCCCOC2CCCNC2)cc1.
What is the InChIKey of 3-(16-phenylmethoxyhexadecoxy)piperidine?
The InChIKey is JFBSEQQUTNYASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NO2/c1(2-4-6-8-10-12-17-24-31-28-21-18-22-29-25-28)3-5-7-9-11-16-23-30-26-27-19-14-13-15-20-27/h13-15,19-20,28-29H,1-12,16-18,21-26H2.
What are the key properties of 3-(16-phenylmethoxyhexadecoxy)piperidine?
3-(16-phenylmethoxyhexadecoxy)piperidine has a molecular weight of 431.71 g/mol, XLogP of 7.43, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(16-phenylmethoxyhexadecoxy)piperidine is sourced from PubChem (CID 177224611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).