N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine

C15H20ClN5 — CID 171352944

IUPACN-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESClc1ccc(-n2cc(CNCC3CCNCC3)nn2)cc1
InChIInChI=1S/C15H20ClN5/c16-13-1-3-15(4-2-13)21-11-14(19-20-21)10-18-9-12-5-7-17-8-6-12/h1-4,11-12,17-18H,5-10H2
InChIKeySYUDCGGMIUDIPQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.01
Rot. Bonds5

About N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine

N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 171352944) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID171352944
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC NameN-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
SMILESClc1ccc(-n2cc(CNCC3CCNCC3)nn2)cc1
InChIInChI=1S/C15H20ClN5/c16-13-1-3-15(4-2-13)21-11-14(19-20-21)10-18-9-12-5-7-17-8-6-12/h1-4,11-12,17-18H,5-10H2
InChIKeySYUDCGGMIUDIPQ-UHFFFAOYSA-N
XLogP2.01
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine (CID 171352944) is N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine is Clc1ccc(-n2cc(CNCC3CCNCC3)nn2)cc1.
What is the InChIKey of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is SYUDCGGMIUDIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c16-13-1-3-15(4-2-13)21-11-14(19-20-21)10-18-9-12-5-7-17-8-6-12/h1-4,11-12,17-18H,5-10H2.
What are the key properties of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine?
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 305.81 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 171352944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).