1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine

C17H28N2O2 — CID 63249528

IUPAC1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-13(19-10-6-5-7-14(19)12-18-2)16-11-15(20-3)8-9-17(16)21-4/h8-9,11,13-14,18H,5-7,10,12H2,1-4H3
InChIKeyHKHIRGRDMSQKBD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.84
Rot. Bonds6

About 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63249528) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63249528
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1C(C)c1cc(OC)ccc1OC
InChIInChI=1S/C17H28N2O2/c1-13(19-10-6-5-7-14(19)12-18-2)16-11-15(20-3)8-9-17(16)21-4/h8-9,11,13-14,18H,5-7,10,12H2,1-4H3
InChIKeyHKHIRGRDMSQKBD-UHFFFAOYSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
1-[1-[1-(2-chlorophenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249282
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
CID 4559409
1-[1-[1-(furan-2-yl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249658
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
4-methyl-2-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 113285153
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
1-[1-(2-hydroxy-5-methoxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 65054114

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine (CID 63249528) is 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1C(C)c1cc(OC)ccc1OC.
What is the InChIKey of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is HKHIRGRDMSQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(19-10-6-5-7-14(19)12-18-2)16-11-15(20-3)8-9-17(16)21-4/h8-9,11,13-14,18H,5-7,10,12H2,1-4H3.
What are the key properties of 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63249528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).