4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine

C15H22ClNO — CID 116925686

IUPAC4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
SMILESCCOc1ccc(CCC2CCNCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-2-18-15-6-5-13(11-14(15)16)4-3-12-7-9-17-10-8-12/h5-6,11-12,17H,2-4,7-10H2,1H3
InChIKeyNVJGZVWSXHCUNU-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.67
Rot. Bonds5

About 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine

4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine (PubChem CID 116925686) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
PubChem CID116925686
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
SMILESCCOc1ccc(CCC2CCNCC2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-2-18-15-6-5-13(11-14(15)16)4-3-12-7-9-17-10-8-12/h5-6,11-12,17H,2-4,7-10H2,1H3
InChIKeyNVJGZVWSXHCUNU-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
4-(2-cyclohexylethyl)-1,2-diethoxybenzene
CID 91085338
4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
CID 53410034
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
4-[3-(3,4-dichlorophenyl)propyl]piperidine;hydrochloride
CID 3059025
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
4-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]piperidine
CID 158221465
4-[2-(2-ethoxyphenoxy)ethyl]piperidine;hydrochloride
CID 56830114
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine?
The IUPAC name of 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine (CID 116925686) is 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine is CCOc1ccc(CCC2CCNCC2)cc1Cl.
What is the InChIKey of 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine?
The InChIKey is NVJGZVWSXHCUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-18-15-6-5-13(11-14(15)16)4-3-12-7-9-17-10-8-12/h5-6,11-12,17H,2-4,7-10H2,1H3.
What are the key properties of 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine?
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine has a molecular weight of 267.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 116925686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).