1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride

C16H27ClN2O2 — CID 119925518

IUPAC1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCOc1ccc(OCCN2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(17)14-4-3-9-18(12-14)10-11-20-16-7-5-15(19-2)6-8-16;/h5-8,13-14H,3-4,9-12,17H2,1-2H3;1H
InChIKeyNRGQMHDVVZXXBY-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.56
Rot. Bonds6

About 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride

1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925518) 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-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925518
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCOc1ccc(OCCN2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-13(17)14-4-3-9-18(12-14)10-11-20-16-7-5-15(19-2)6-8-16;/h5-8,13-14H,3-4,9-12,17H2,1-2H3;1H
InChIKeyNRGQMHDVVZXXBY-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
1-[1-(2-phenylsulfanylethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925370
1-[1-(3-methoxy-2-methylpropyl)piperidin-3-yl]ethanamine
CID 116502167
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119593429
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 119517254
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride (CID 119925518) is 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride is COc1ccc(OCCN2CCCC(C(C)N)C2)cc1.Cl.
What is the InChIKey of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is NRGQMHDVVZXXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-13(17)14-4-3-9-18(12-14)10-11-20-16-7-5-15(19-2)6-8-16;/h5-8,13-14H,3-4,9-12,17H2,1-2H3;1H.
What are the key properties of 1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride?
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.56, 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-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).