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

C10H16F2N4 — CID 166602973

IUPAC4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1ncnc1CN1CCC(C(F)F)CC1
InChIInChI=1S/C10H16F2N4/c1-15-9(13-7-14-15)6-16-4-2-8(3-5-16)10(11)12/h7-8,10H,2-6H2,1H3
InChIKeyXZXRVJAMZCCBPR-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.29
Rot. Bonds3

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

4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 166602973) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID166602973
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1ncnc1CN1CCC(C(F)F)CC1
InChIInChI=1S/C10H16F2N4/c1-15-9(13-7-14-15)6-16-4-2-8(3-5-16)10(11)12/h7-8,10H,2-6H2,1H3
InChIKeyXZXRVJAMZCCBPR-UHFFFAOYSA-N
XLogP1.29
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 166602973) is 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine is Cn1ncnc1CN1CCC(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is XZXRVJAMZCCBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-15-9(13-7-14-15)6-16-4-2-8(3-5-16)10(11)12/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 230.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 166602973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).