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

C16H27ClN2O2 — CID 119911308

IUPAC1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCOc1ccc(OCCN2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(17)16-5-3-4-10-18(16)11-12-20-15-8-6-14(19-2)7-9-15;/h6-9,13,16H,3-5,10-12,17H2,1-2H3;1H
InChIKeyUFYBDJZWQMVWBL-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.70
Rot. Bonds6

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

1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119911308) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119911308
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCOc1ccc(OCCN2CCCCC2C(C)N)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(17)16-5-3-4-10-18(16)11-12-20-15-8-6-14(19-2)7-9-15;/h6-9,13,16H,3-5,10-12,17H2,1-2H3;1H
InChIKeyUFYBDJZWQMVWBL-UHFFFAOYSA-N
XLogP2.70
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
(2R)-1-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperidine
CID 166625466
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925518
1-[2-(4-methoxyphenoxy)ethyl]-2-propan-2-yl-1,4-diazepane
CID 82251090
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine
CID 120980242
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride (CID 119911308) is 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride is COc1ccc(OCCN2CCCCC2C(C)N)cc1.Cl.
What is the InChIKey of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is UFYBDJZWQMVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13(17)16-5-3-4-10-18(16)11-12-20-15-8-6-14(19-2)7-9-15;/h6-9,13,16H,3-5,10-12,17H2,1-2H3;1H.
What are the key properties of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119911308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).