1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine

C16H26N2O — CID 116936466

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
SMILESCOc1cc(C)c(C(N)CC2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-9-16(19-3)12(2)8-14(11)15(17)10-13-4-6-18-7-5-13/h8-9,13,15,18H,4-7,10,17H2,1-3H3
InChIKeyVUOHIAJBSXVQPZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine

1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine (PubChem CID 116936466) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
PubChem CID116936466
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
SMILESCOc1cc(C)c(C(N)CC2CCNCC2)cc1C
InChIInChI=1S/C16H26N2O/c1-11-9-16(19-3)12(2)8-14(11)15(17)10-13-4-6-18-7-5-13/h8-9,13,15,18H,4-7,10,17H2,1-3H3
InChIKeyVUOHIAJBSXVQPZ-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-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 105179040
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
CID 116936357
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
5-methoxy-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84797533

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine (CID 116936466) is 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine is COc1cc(C)c(C(N)CC2CCNCC2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine?
The InChIKey is VUOHIAJBSXVQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-9-16(19-3)12(2)8-14(11)15(17)10-13-4-6-18-7-5-13/h8-9,13,15,18H,4-7,10,17H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine?
1-(4-methoxy-2,5-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-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116936466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).