N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

C17H29N3O — CID 65338284

IUPACN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCOc1ccc(CN(C)CC2CCN(C)CC2)cc1CN
InChIInChI=1S/C17H29N3O/c1-19-8-6-14(7-9-19)12-20(2)13-15-4-5-17(21-3)16(10-15)11-18/h4-5,10,14H,6-9,11-13,18H2,1-3H3
InChIKeyDTPSIGXNLZJPDA-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.93
Rot. Bonds6

About N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 65338284) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID65338284
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCOc1ccc(CN(C)CC2CCN(C)CC2)cc1CN
InChIInChI=1S/C17H29N3O/c1-19-8-6-14(7-9-19)12-20(2)13-15-4-5-17(21-3)16(10-15)11-18/h4-5,10,14H,6-9,11-13,18H2,1-3H3
InChIKeyDTPSIGXNLZJPDA-UHFFFAOYSA-N
XLogP1.93
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 65338284) is N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is COc1ccc(CN(C)CC2CCN(C)CC2)cc1CN.
What is the InChIKey of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is DTPSIGXNLZJPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19-8-6-14(7-9-19)12-20(2)13-15-4-5-17(21-3)16(10-15)11-18/h4-5,10,14H,6-9,11-13,18H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 291.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 65338284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).