1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine

C17H24ClN5 — CID 127038188

IUPAC1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cn(C2CCCN(C)C2)nn1
InChIInChI=1S/C17H24ClN5/c1-21-9-3-4-17(13-21)23-12-16(19-20-23)11-22(2)10-14-5-7-15(18)8-6-14/h5-8,12,17H,3-4,9-11,13H2,1-2H3
InChIKeyPMCZVTZDVNSNSP-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine

1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine (PubChem CID 127038188) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine
PubChem CID127038188
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1cn(C2CCCN(C)C2)nn1
InChIInChI=1S/C17H24ClN5/c1-21-9-3-4-17(13-21)23-12-16(19-20-23)11-22(2)10-14-5-7-15(18)8-6-14/h5-8,12,17H,3-4,9-11,13H2,1-2H3
InChIKeyPMCZVTZDVNSNSP-UHFFFAOYSA-N
XLogP2.83
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine (CID 127038188) is 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine is CN(Cc1ccc(Cl)cc1)Cc1cn(C2CCCN(C)C2)nn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine?
The InChIKey is PMCZVTZDVNSNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c1-21-9-3-4-17(13-21)23-12-16(19-20-23)11-22(2)10-14-5-7-15(18)8-6-14/h5-8,12,17H,3-4,9-11,13H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine?
1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine has a molecular weight of 333.87 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine is sourced from PubChem (CID 127038188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).