1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine

C16H26N2O — CID 63255908

IUPAC1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCc1cccc(OCCN2CCCCC2C(C)N)c1
InChIInChI=1S/C16H26N2O/c1-13-6-5-7-15(12-13)19-11-10-18-9-4-3-8-16(18)14(2)17/h5-7,12,14,16H,3-4,8-11,17H2,1-2H3
InChIKeyCUFMOPUGUYOLJS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds5

About 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine

1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine (PubChem CID 63255908) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
PubChem CID63255908
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
SMILESCc1cccc(OCCN2CCCCC2C(C)N)c1
InChIInChI=1S/C16H26N2O/c1-13-6-5-7-15(12-13)19-11-10-18-9-4-3-8-16(18)14(2)17/h5-7,12,14,16H,3-4,8-11,17H2,1-2H3
InChIKeyCUFMOPUGUYOLJS-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
1-[2-(1-aminoethyl)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119435582
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-[3-(3-methylphenoxy)propyl]piperidine-2-carbaldehyde
CID 62654960
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992273
2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine (CID 63255908) is 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine is Cc1cccc(OCCN2CCCCC2C(C)N)c1.
What is the InChIKey of 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine?
The InChIKey is CUFMOPUGUYOLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-5-7-15(12-13)19-11-10-18-9-4-3-8-16(18)14(2)17/h5-7,12,14,16H,3-4,8-11,17H2,1-2H3.
What are the key properties of 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine?
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).