N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine

C17H29N3O — CID 60860252

IUPACN-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(C(C)N)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-13(18)14-5-6-17(21-4)15(11-14)12-20(3)16-7-9-19(2)10-8-16/h5-6,11,13,16H,7-10,12,18H2,1-4H3
InChIKeyWBZKBVWSTZOEAO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.24
Rot. Bonds5

About N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 60860252) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID60860252
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCOc1ccc(C(C)N)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C17H29N3O/c1-13(18)14-5-6-17(21-4)15(11-14)12-20(3)16-7-9-19(2)10-8-16/h5-6,11,13,16H,7-10,12,18H2,1-4H3
InChIKeyWBZKBVWSTZOEAO-UHFFFAOYSA-N
XLogP2.24
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine (CID 60860252) is N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine is COc1ccc(C(C)N)cc1CN(C)C1CCN(C)CC1.
What is the InChIKey of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is WBZKBVWSTZOEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(18)14-5-6-17(21-4)15(11-14)12-20(3)16-7-9-19(2)10-8-16/h5-6,11,13,16H,7-10,12,18H2,1-4H3.
What are the key properties of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 60860252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).