1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine

C16H26N2O — CID 116936485

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
SMILESCOc1ccc(C(N)CC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-11-12(2)16(19-3)5-4-14(11)15(17)10-13-6-8-18-9-7-13/h4-5,13,15,18H,6-10,17H2,1-3H3
InChIKeyNYNVYMHRMLOTBT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine

1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine (PubChem CID 116936485) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
PubChem CID116936485
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
SMILESCOc1ccc(C(N)CC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-11-12(2)16(19-3)5-4-14(11)15(17)10-13-6-8-18-9-7-13/h4-5,13,15,18H,6-10,17H2,1-3H3
InChIKeyNYNVYMHRMLOTBT-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936466
1-(4-methoxy-2,3-dimethylphenyl)-2-morpholin-3-ylethanamine
CID 116941505
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
CID 116925692
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936145
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine (CID 116936485) is 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine is COc1ccc(C(N)CC2CCNCC2)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine?
The InChIKey is NYNVYMHRMLOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-12(2)16(19-3)5-4-14(11)15(17)10-13-6-8-18-9-7-13/h4-5,13,15,18H,6-10,17H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine?
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116936485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).