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

C15H24Cl2N2O — CID 119920819

IUPAC1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(CCOc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-12(17)13-6-8-18(9-7-13)10-11-19-15-5-3-2-4-14(15)16;/h2-5,12-13H,6-11,17H2,1H3;1H
InChIKeyBPQMZOIGWVXKNK-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.20
Rot. Bonds5

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

1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119920819) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID119920819
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(CCOc2ccccc2Cl)CC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-12(17)13-6-8-18(9-7-13)10-11-19-15-5-3-2-4-14(15)16;/h2-5,12-13H,6-11,17H2,1H3;1H
InChIKeyBPQMZOIGWVXKNK-UHFFFAOYSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119520913
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone;hydrochloride
CID 119518980
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
(2S)-2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119839368
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
4-(1-bromoethyl)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 106838307
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119839344
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]benzonitrile
CID 103714068
(2S)-2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119839329

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride (CID 119920819) is 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(CCOc2ccccc2Cl)CC1.Cl.
What is the InChIKey of 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is BPQMZOIGWVXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-12(17)13-6-8-18(9-7-13)10-11-19-15-5-3-2-4-14(15)16;/h2-5,12-13H,6-11,17H2,1H3;1H.
What are the key properties of 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride?
1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119920819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).