ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate

C16H22ClNO3 — CID 27186861

IUPACethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO3/c1-2-20-16(19)13-7-9-18(10-8-13)11-12-21-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyQNZXKGPFYZGLMK-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.99
Rot. Bonds6

About ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate

ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate (PubChem CID 27186861) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
PubChem CID27186861
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Nameethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClNO3/c1-2-20-16(19)13-7-9-18(10-8-13)11-12-21-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyQNZXKGPFYZGLMK-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
ethyl 1-[3-(4-propan-2-yloxyphenoxy)propyl]piperidine-4-carboxylate
CID 6461813
ethyl 1-[3-(4-chlorophenyl)sulfanylpropyl]piperidine-4-carboxylate;hydrochloride
CID 6461141
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
CID 23553352
ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate (CID 27186861) is ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?
The InChIKey is QNZXKGPFYZGLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-2-20-16(19)13-7-9-18(10-8-13)11-12-21-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3.
What are the key properties of ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate has a molecular weight of 311.81 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 27186861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).