N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine

C12H23N5 — CID 115682188

IUPACN-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cnnn2C)CC1
InChIInChI=1S/C12H23N5/c1-3-6-17-7-4-11(5-8-17)13-9-12-10-14-15-16(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyBIJRDRONKPWDAQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.78
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine

N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine (PubChem CID 115682188) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
PubChem CID115682188
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NCc2cnnn2C)CC1
InChIInChI=1S/C12H23N5/c1-3-6-17-7-4-11(5-8-17)13-9-12-10-14-15-16(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyBIJRDRONKPWDAQ-UHFFFAOYSA-N
XLogP0.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine (CID 115682188) is N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine is CCCN1CCC(NCc2cnnn2C)CC1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine?
The InChIKey is BIJRDRONKPWDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-6-17-7-4-11(5-8-17)13-9-12-10-14-15-16(12)2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine?
N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 115682188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).