4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride

C14H21Cl2NO — CID 56830862

IUPAC4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
SMILESCCc1cc(Cl)ccc1OCC1CCNCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-12-9-13(15)3-4-14(12)17-10-11-5-7-16-8-6-11;/h3-4,9,11,16H,2,5-8,10H2,1H3;1H
InChIKeyHTGMHNZZWUBEGF-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.70
Rot. Bonds4

About 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride

4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride (PubChem CID 56830862) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
PubChem CID56830862
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
SMILESCCc1cc(Cl)ccc1OCC1CCNCC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-2-12-9-13(15)3-4-14(12)17-10-11-5-7-16-8-6-11;/h3-4,9,11,16H,2,5-8,10H2,1H3;1H
InChIKeyHTGMHNZZWUBEGF-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride 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

4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
4-[(2-chloro-4-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830834
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
2-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835879
3-[(2-benzyl-4-chlorophenoxy)methyl]pyrrolidine
CID 56830487
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
4-[[2-chloro-4-(2-methylbutan-2-yl)phenoxy]methyl]piperidine
CID 53410034

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride (CID 56830862) is 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride is CCc1cc(Cl)ccc1OCC1CCNCC1.Cl.
What is the InChIKey of 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is HTGMHNZZWUBEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-2-12-9-13(15)3-4-14(12)17-10-11-5-7-16-8-6-11;/h3-4,9,11,16H,2,5-8,10H2,1H3;1H.
What are the key properties of 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride?
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 56830862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).