1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine

C14H20ClNO — CID 869320

IUPAC1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
SMILESCc1cc(Cl)ccc1OCCN1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-12-11-13(15)5-6-14(12)17-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyOAYDPLWHBMDICC-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine

1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine (PubChem CID 869320) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
PubChem CID869320
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
SMILESCc1cc(Cl)ccc1OCCN1CCCCC1
InChIInChI=1S/C14H20ClNO/c1-12-11-13(15)5-6-14(12)17-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3
InChIKeyOAYDPLWHBMDICC-UHFFFAOYSA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine 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-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63676415
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
3-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
[4-[2-(4-chloro-2-methylphenoxy)ethyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 97437195

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine (CID 869320) is 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine is Cc1cc(Cl)ccc1OCCN1CCCCC1.
What is the InChIKey of 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine?
The InChIKey is OAYDPLWHBMDICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-12-11-13(15)5-6-14(12)17-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine?
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine is sourced from PubChem (CID 869320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).