[4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate

C18H20N2O2 — CID 174358694

IUPAC[4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H20N2O2/c1-14(21)22-18-4-2-15(3-5-18)16-8-12-20(13-9-16)17-6-10-19-11-7-17/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyMFBGLKHQAYBSKL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds3

About [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate

[4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate (PubChem CID 174358694) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate
PubChem CID174358694
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H20N2O2/c1-14(21)22-18-4-2-15(3-5-18)16-8-12-20(13-9-16)17-6-10-19-11-7-17/h2-7,10-11,16H,8-9,12-13H2,1H3
InChIKeyMFBGLKHQAYBSKL-UHFFFAOYSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pyridin-4-ylpiperidin-1-yl)aniline
CID 11021416
[4-(oxiran-2-yl)phenyl] acetate
CID 10921072
1-[4-(4-hydroxycyclohexyl)phenyl]piperidin-4-ol
CID 54277612
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
2-methoxy-2-[4-(1-pyridin-4-ylpiperidin-4-yl)cyclohexyl]acetic acid
CID 19068097
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
1-(4-ethylphenyl)-4-(4-methoxyphenyl)piperidine
CID 166657002
1-pyridin-4-ylpiperidine-4-thiol
CID 153166689
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
[4-(3-acetyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-2-yl)phenyl] acetate
CID 71525299

Frequently Asked Questions

What is the IUPAC name of [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate?
The IUPAC name of [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate (CID 174358694) is [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate.
What is the SMILES notation for [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate?
The canonical SMILES for [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate is CC(=O)Oc1ccc(C2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate?
The InChIKey is MFBGLKHQAYBSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14(21)22-18-4-2-15(3-5-18)16-8-12-20(13-9-16)17-6-10-19-11-7-17/h2-7,10-11,16H,8-9,12-13H2,1H3.
What are the key properties of [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate?
[4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate has a molecular weight of 296.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-pyridin-4-ylpiperidin-4-yl)phenyl] acetate is sourced from PubChem (CID 174358694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).