1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine

C19H27N3O — CID 91829581

IUPAC1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
SMILESCCc1nccn1CCN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O/c1-2-19-20-10-13-22(19)15-14-21-11-8-18(9-12-21)23-16-17-6-4-3-5-7-17/h3-7,10,13,18H,2,8-9,11-12,14-16H2,1H3
InChIKeyNYZQRXVYKXOCLJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.13
Rot. Bonds7

About 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine

1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine (PubChem CID 91829581) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
PubChem CID91829581
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine
SMILESCCc1nccn1CCN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H27N3O/c1-2-19-20-10-13-22(19)15-14-21-11-8-18(9-12-21)23-16-17-6-4-3-5-7-17/h3-7,10,13,18H,2,8-9,11-12,14-16H2,1H3
InChIKeyNYZQRXVYKXOCLJ-UHFFFAOYSA-N
XLogP3.13
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine?
The IUPAC name of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine (CID 91829581) is 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine.
What is the SMILES notation for 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine?
The canonical SMILES for 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine is CCc1nccn1CCN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine?
The InChIKey is NYZQRXVYKXOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-19-20-10-13-22(19)15-14-21-11-8-18(9-12-21)23-16-17-6-4-3-5-7-17/h3-7,10,13,18H,2,8-9,11-12,14-16H2,1H3.
What are the key properties of 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine?
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine has a molecular weight of 313.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylimidazol-1-yl)ethyl]-4-phenylmethoxypiperidine is sourced from PubChem (CID 91829581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).