N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

C16H26N2O2 — CID 765855

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-17-9-7-14(8-10-17)18(2)12-13-5-6-15(19-3)16(11-13)20-4/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyLFAOJZMNOFZDDB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 765855) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID765855
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN(C)C2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-17-9-7-14(8-10-17)18(2)12-13-5-6-15(19-3)16(11-13)20-4/h5-6,11,14H,7-10,12H2,1-4H3
InChIKeyLFAOJZMNOFZDDB-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 765855) is N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is COc1ccc(CN(C)C2CCN(C)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is LFAOJZMNOFZDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-9-7-14(8-10-17)18(2)12-13-5-6-15(19-3)16(11-13)20-4/h5-6,11,14H,7-10,12H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 765855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).