N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine

C16H26N2O — CID 115118464

IUPACN-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(CCNC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-12-13(2)16(19-3)5-4-14(12)6-11-18-15-7-9-17-10-8-15/h4-5,15,17-18H,6-11H2,1-3H3
InChIKeyUZFTWEBJTGLESX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine

N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine (PubChem CID 115118464) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
PubChem CID115118464
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(CCNC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H26N2O/c1-12-13(2)16(19-3)5-4-14(12)6-11-18-15-7-9-17-10-8-15/h4-5,15,17-18H,6-11H2,1-3H3
InChIKeyUZFTWEBJTGLESX-UHFFFAOYSA-N
XLogP2.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
CID 116925692
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118462
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
CID 115118851
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine
CID 67167956
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
3-[[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214290

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine (CID 115118464) is N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine is COc1ccc(CCNC2CCNCC2)c(C)c1C.
What is the InChIKey of N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine?
The InChIKey is UZFTWEBJTGLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-13(2)16(19-3)5-4-14(12)6-11-18-15-7-9-17-10-8-15/h4-5,15,17-18H,6-11H2,1-3H3.
What are the key properties of N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine?
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115118464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).