1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

C13H18F3N7 — CID 124621833

IUPAC1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESC[C@H](c1nnnn1C)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N7/c1-9(12-17-19-20-21(12)2)22-6-3-10(4-7-22)23-8-5-11(18-23)13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyJKABJAWAVZUKRB-SECBINFHSA-N
MW329.33 g/mol
LogP1.82
Rot. Bonds3

About 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine

1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 124621833) has the molecular formula C13H18F3N7 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID124621833
Molecular FormulaC13H18F3N7
Molecular Weight329.33 g/mol
Exact Mass329.16
IUPAC Name1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESC[C@H](c1nnnn1C)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N7/c1-9(12-17-19-20-21(12)2)22-6-3-10(4-7-22)23-8-5-11(18-23)13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3/t9-/m1/s1
InChIKeyJKABJAWAVZUKRB-SECBINFHSA-N
XLogP1.82
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 124621833) is 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is C[C@H](c1nnnn1C)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is JKABJAWAVZUKRB-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F3N7/c1-9(12-17-19-20-21(12)2)22-6-3-10(4-7-22)23-8-5-11(18-23)13(14,15)16/h5,8-10H,3-4,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 329.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 124621833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).