1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine

C20H34FN3O — CID 166841874

IUPAC1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine
SMILESCCc1cnn(C[C@@H]2COC(C(CF)N3CCC(C(C)C)CC3)C2)c1
InChIInChI=1S/C20H34FN3O/c1-4-16-11-22-24(12-16)13-17-9-20(25-14-17)19(10-21)23-7-5-18(6-8-23)15(2)3/h11-12,15,17-20H,4-10,13-14H2,1-3H3/t17-,19?,20?/m1/s1
InChIKeyQQCKLTSXPRKBRD-QHGAOEGBSA-N
MW351.51 g/mol
LogP3.56
Rot. Bonds7

About 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine

1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine (PubChem CID 166841874) has the molecular formula C20H34FN3O and a molecular weight of 351.51 g/mol. Its IUPAC name is 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine
PubChem CID166841874
Molecular FormulaC20H34FN3O
Molecular Weight351.51 g/mol
Exact Mass351.27
IUPAC Name1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine
SMILESCCc1cnn(C[C@@H]2COC(C(CF)N3CCC(C(C)C)CC3)C2)c1
InChIInChI=1S/C20H34FN3O/c1-4-16-11-22-24(12-16)13-17-9-20(25-14-17)19(10-21)23-7-5-18(6-8-23)15(2)3/h11-12,15,17-20H,4-10,13-14H2,1-3H3/t17-,19?,20?/m1/s1
InChIKeyQQCKLTSXPRKBRD-QHGAOEGBSA-N
XLogP3.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine?
The IUPAC name of 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine (CID 166841874) is 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine is CCc1cnn(C[C@@H]2COC(C(CF)N3CCC(C(C)C)CC3)C2)c1.
What is the InChIKey of 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine?
The InChIKey is QQCKLTSXPRKBRD-QHGAOEGBSA-N. The full InChI is InChI=1S/C20H34FN3O/c1-4-16-11-22-24(12-16)13-17-9-20(25-14-17)19(10-21)23-7-5-18(6-8-23)15(2)3/h11-12,15,17-20H,4-10,13-14H2,1-3H3/t17-,19?,20?/m1/s1.
What are the key properties of 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine?
1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine has a molecular weight of 351.51 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4R)-4-[(4-ethylpyrazol-1-yl)methyl]oxolan-2-yl]-2-fluoroethyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 166841874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).