1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride

C16H22Cl2NO3- — CID 53351977

IUPAC1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride
SMILESCC(CN1CCCCC1)OC(=O)COc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C16H22ClNO3.ClH/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15;/h5-8,13H,2-4,9-12H2,1H3;1H/p-1
InChIKeyNUITZQQGAXAGAI-UHFFFAOYSA-M
MW347.26 g/mol
LogP0.14
Rot. Bonds6

About 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride

1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride (PubChem CID 53351977) has the molecular formula C16H22Cl2NO3- and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride
PubChem CID53351977
Molecular FormulaC16H22Cl2NO3-
Molecular Weight347.26 g/mol
Exact Mass346.10
IUPAC Name1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride
SMILESCC(CN1CCCCC1)OC(=O)COc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C16H22ClNO3.ClH/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15;/h5-8,13H,2-4,9-12H2,1H3;1H/p-1
InChIKeyNUITZQQGAXAGAI-UHFFFAOYSA-M
XLogP0.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 2928612
1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
CID 3781390
1-(4-methylpiperazin-1-yl)propan-2-yl 2-(4-tert-butylphenoxy)acetate
CID 3521789
1-morpholin-4-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 649208
hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
CID 646573
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 932357
(4-ethoxyphenyl)-[(2S)-1-piperidin-1-ylpropan-2-yl]oxycarbonylazanium
CID 102464332
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride (CID 53351977) is 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride is CC(CN1CCCCC1)OC(=O)COc1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride?
The InChIKey is NUITZQQGAXAGAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22ClNO3.ClH/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15;/h5-8,13H,2-4,9-12H2,1H3;1H/p-1.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride?
1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride has a molecular weight of 347.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride is sourced from PubChem (CID 53351977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).