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

C12H20N4 — CID 86820601

IUPAC3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CC2CCCNC2)n1CC1CC1
InChIInChI=1S/C12H20N4/c1-2-11(7-13-5-1)6-12-15-14-9-16(12)8-10-3-4-10/h9-11,13H,1-8H2
InChIKeyREGNDIRRMPNDOM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.23
Rot. Bonds4

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

3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 86820601) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID86820601
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESc1nnc(CC2CCCNC2)n1CC1CC1
InChIInChI=1S/C12H20N4/c1-2-11(7-13-5-1)6-12-15-14-9-16(12)8-10-3-4-10/h9-11,13H,1-8H2
InChIKeyREGNDIRRMPNDOM-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 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine (CID 86820601) is 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is c1nnc(CC2CCCNC2)n1CC1CC1.
What is the InChIKey of 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is REGNDIRRMPNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-11(7-13-5-1)6-12-15-14-9-16(12)8-10-3-4-10/h9-11,13H,1-8H2.
What are the key properties of 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
3-[[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 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 86820601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).