[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate

C14H18Cl2N2O3 — CID 91459026

IUPAC[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(CCOc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3/c15-10-1-2-13(12(16)9-10)20-8-7-18-5-3-11(4-6-18)21-14(17)19/h1-2,9,11H,3-8H2,(H2,17,19)
InChIKeyHLRHGMISARKDAS-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.93
Rot. Bonds5

About [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate

[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate (PubChem CID 91459026) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
PubChem CID91459026
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(CCOc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O3/c15-10-1-2-13(12(16)9-10)20-8-7-18-5-3-11(4-6-18)21-14(17)19/h1-2,9,11H,3-8H2,(H2,17,19)
InChIKeyHLRHGMISARKDAS-UHFFFAOYSA-N
XLogP2.93
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233711
1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279729
1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917465
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237
methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 154319373
[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
CID 70420726
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate?
The IUPAC name of [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate (CID 91459026) is [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate is NC(=O)OC1CCN(CCOc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate?
The InChIKey is HLRHGMISARKDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c15-10-1-2-13(12(16)9-10)20-8-7-18-5-3-11(4-6-18)21-14(17)19/h1-2,9,11H,3-8H2,(H2,17,19).
What are the key properties of [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate?
[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate has a molecular weight of 333.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 91459026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).