4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine

C15H23N5 — CID 53192555

IUPAC4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine
SMILESCCCn1cnnc1C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C15H23N5/c1-2-8-20-12-17-18-15(20)13-5-9-19(10-6-13)11-14-4-3-7-16-14/h3-4,7,12-13,16H,2,5-6,8-11H2,1H3
InChIKeyIGTPLYUQAUIKJJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.40
Rot. Bonds5

About 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine

4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine (PubChem CID 53192555) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine
PubChem CID53192555
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine
SMILESCCCn1cnnc1C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C15H23N5/c1-2-8-20-12-17-18-15(20)13-5-9-19(10-6-13)11-14-4-3-7-16-14/h3-4,7,12-13,16H,2,5-6,8-11H2,1H3
InChIKeyIGTPLYUQAUIKJJ-UHFFFAOYSA-N
XLogP2.40
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
The IUPAC name of 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine (CID 53192555) is 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
The canonical SMILES for 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine is CCCn1cnnc1C1CCN(Cc2ccc[nH]2)CC1.
What is the InChIKey of 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
The InChIKey is IGTPLYUQAUIKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-8-20-12-17-18-15(20)13-5-9-19(10-6-13)11-14-4-3-7-16-14/h3-4,7,12-13,16H,2,5-6,8-11H2,1H3.
What are the key properties of 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine has a molecular weight of 273.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propyl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine is sourced from PubChem (CID 53192555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).