2-(1-pyridin-4-ylpiperidin-4-yl)acetate

C12H15N2O2- — CID 18918250

IUPAC2-(1-pyridin-4-ylpiperidin-4-yl)acetate
SMILESO=C([O-])CC1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H16N2O2/c15-12(16)9-10-3-7-14(8-4-10)11-1-5-13-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/p-1
InChIKeyBOWIYWCUXAIUAB-UHFFFAOYSA-M
MW219.26 g/mol
LogP0.44
Rot. Bonds3

About 2-(1-pyridin-4-ylpiperidin-4-yl)acetate

2-(1-pyridin-4-ylpiperidin-4-yl)acetate (PubChem CID 18918250) has the molecular formula C12H15N2O2- and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(1-pyridin-4-ylpiperidin-4-yl)acetate.

Molecular Properties

Compound Name2-(1-pyridin-4-ylpiperidin-4-yl)acetate
PubChem CID18918250
Molecular FormulaC12H15N2O2-
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-(1-pyridin-4-ylpiperidin-4-yl)acetate
SMILESO=C([O-])CC1CCN(c2ccncc2)CC1
InChIInChI=1S/C12H16N2O2/c15-12(16)9-10-3-7-14(8-4-10)11-1-5-13-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/p-1
InChIKeyBOWIYWCUXAIUAB-UHFFFAOYSA-M
XLogP0.44
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
N-phenyl-2-(1-pyridin-4-ylpiperidin-4-yl)acetamide
CID 140968172
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl] 2,2,2-trifluoroacetate
CID 87188945
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
CID 140553160
2-(4-nitrophenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108772
2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 21462820
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-4-ylpiperidin-4-yl)acetate?
The IUPAC name of 2-(1-pyridin-4-ylpiperidin-4-yl)acetate (CID 18918250) is 2-(1-pyridin-4-ylpiperidin-4-yl)acetate.
What is the SMILES notation for 2-(1-pyridin-4-ylpiperidin-4-yl)acetate?
The canonical SMILES for 2-(1-pyridin-4-ylpiperidin-4-yl)acetate is O=C([O-])CC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-(1-pyridin-4-ylpiperidin-4-yl)acetate?
The InChIKey is BOWIYWCUXAIUAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N2O2/c15-12(16)9-10-3-7-14(8-4-10)11-1-5-13-6-2-11/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/p-1.
What are the key properties of 2-(1-pyridin-4-ylpiperidin-4-yl)acetate?
2-(1-pyridin-4-ylpiperidin-4-yl)acetate has a molecular weight of 219.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-4-ylpiperidin-4-yl)acetate is sourced from PubChem (CID 18918250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).