N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

C16H26Cl2N2O — CID 119927795

IUPACN-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-2-18-13-14-7-9-19(10-8-14)11-12-20-16-5-3-15(17)4-6-16;/h3-6,14,18H,2,7-13H2,1H3;1H
InChIKeyCSXLPKYPULDTIH-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.46
Rot. Bonds7

About N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119927795) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119927795
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC NameN-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-2-18-13-14-7-9-19(10-8-14)11-12-20-16-5-3-15(17)4-6-16;/h3-6,14,18H,2,7-13H2,1H3;1H
InChIKeyCSXLPKYPULDTIH-UHFFFAOYSA-N
XLogP3.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 57145177
cis-(1S,2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345732
trans-(1S,2S)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 95345733

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119927795) is N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is CSXLPKYPULDTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O.ClH/c1-2-18-13-14-7-9-19(10-8-14)11-12-20-16-5-3-15(17)4-6-16;/h3-6,14,18H,2,7-13H2,1H3;1H.
What are the key properties of N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119927795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).