4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine

C12H20N4 — CID 86820446

IUPAC4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CC2CCNCC2)n1CC1CC1
InChIInChI=1S/C12H20N4/c1-2-11(1)8-16-9-14-15-12(16)7-10-3-5-13-6-4-10/h9-11,13H,1-8H2
InChIKeyHZZKYXUFPVZCQR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.23
Rot. Bonds4

About 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine

4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 86820446) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID86820446
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CC2CCNCC2)n1CC1CC1
InChIInChI=1S/C12H20N4/c1-2-11(1)8-16-9-14-15-12(16)7-10-3-5-13-6-4-10/h9-11,13H,1-8H2
InChIKeyHZZKYXUFPVZCQR-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (CID 86820446) is 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is c1nnc(CC2CCNCC2)n1CC1CC1.
What is the InChIKey of 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is HZZKYXUFPVZCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-11(1)8-16-9-14-15-12(16)7-10-3-5-13-6-4-10/h9-11,13H,1-8H2.
What are the key properties of 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 220.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 86820446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).