4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine

C17H23N3 — CID 11407784

IUPAC4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C17H23N3/c1-2-4-15(5-3-1)6-9-20-10-7-16(8-11-20)12-17-13-18-14-19-17/h1-5,13-14,16H,6-12H2,(H,18,19)
InChIKeyFPGRAMYXLNQYLK-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.91
Rot. Bonds5

About 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine

4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine (PubChem CID 11407784) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine
PubChem CID11407784
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCC(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C17H23N3/c1-2-4-15(5-3-1)6-9-20-10-7-16(8-11-20)12-17-13-18-14-19-17/h1-5,13-14,16H,6-12H2,(H,18,19)
InChIKeyFPGRAMYXLNQYLK-UHFFFAOYSA-N
XLogP2.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine (CID 11407784) is 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine is c1ccc(CCN2CCC(Cc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine?
The InChIKey is FPGRAMYXLNQYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-4-15(5-3-1)6-9-20-10-7-16(8-11-20)12-17-13-18-14-19-17/h1-5,13-14,16H,6-12H2,(H,18,19).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine?
4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine has a molecular weight of 269.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 11407784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).