2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate

C16H22ClNO3 — CID 155075991

IUPAC2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate
SMILESCC(C)(OC(=O)C(O)c1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H22ClNO3/c1-16(2,12-6-8-18-9-7-12)21-15(20)14(19)11-4-3-5-13(17)10-11/h3-5,10,12,14,18-19H,6-9H2,1-2H3
InChIKeyFXGNGMIOJIKMFL-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.69
Rot. Bonds4

About 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate

2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate (PubChem CID 155075991) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate
PubChem CID155075991
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate
SMILESCC(C)(OC(=O)C(O)c1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H22ClNO3/c1-16(2,12-6-8-18-9-7-12)21-15(20)14(19)11-4-3-5-13(17)10-11/h3-5,10,12,14,18-19H,6-9H2,1-2H3
InChIKeyFXGNGMIOJIKMFL-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-ylpropan-2-yl 3,3-diphenylpropanoate
CID 155075781
2-piperidin-4-ylpropan-2-yl 3-chloro-2-methylbenzoate
CID 155075997
tetrakis(2-piperidin-4-ylpropan-2-yl) cyclobutane-1,2,3,4-tetracarboxylate
CID 155075585
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
2-piperidin-4-ylpropan-2-yl 3,4-dichlorobenzoate
CID 155075487
2-piperidin-4-ylpropan-2-yl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 155075688
2-piperidin-4-ylpropan-2-yl 2-oxo-2-phenylacetate
CID 155075940
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2-phenylpropanoate
CID 155075328
(1S)-1-(3-chlorophenyl)-1-hydroxy-3-methylbutan-2-one
CID 129386810
bis(2-piperidin-4-ylpropan-2-yl) 5-bromobenzene-1,3-dicarboxylate
CID 155605297
methyl 2-(3-chlorophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetate
CID 120850183
tert-butyl (4R)-4-[(R)-(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylate
CID 162391381

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate (CID 155075991) is 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate is CC(C)(OC(=O)C(O)c1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?
The InChIKey is FXGNGMIOJIKMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-16(2,12-6-8-18-9-7-12)21-15(20)14(19)11-4-3-5-13(17)10-11/h3-5,10,12,14,18-19H,6-9H2,1-2H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?
2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate has a molecular weight of 311.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 155075991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).