2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride

C17H29ClN2O — CID 120728149

IUPAC2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccc(C)c(OCCN2CCCC(CCN)C2)c1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-14-5-6-15(2)17(12-14)20-11-10-19-9-3-4-16(13-19)7-8-18;/h5-6,12,16H,3-4,7-11,13,18H2,1-2H3;1H
InChIKeyRPMIRKRNHKNTPV-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.16
Rot. Bonds6

About 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728149) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728149
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCc1ccc(C)c(OCCN2CCCC(CCN)C2)c1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-14-5-6-15(2)17(12-14)20-11-10-19-9-3-4-16(13-19)7-8-18;/h5-6,12,16H,3-4,7-11,13,18H2,1-2H3;1H
InChIKeyRPMIRKRNHKNTPV-UHFFFAOYSA-N
XLogP3.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
[1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927215
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942
3-[(3S)-1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 129403708
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728149) is 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride is Cc1ccc(C)c(OCCN2CCCC(CCN)C2)c1.Cl.
What is the InChIKey of 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is RPMIRKRNHKNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-14-5-6-15(2)17(12-14)20-11-10-19-9-3-4-16(13-19)7-8-18;/h5-6,12,16H,3-4,7-11,13,18H2,1-2H3;1H.
What are the key properties of 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).