methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate

C21H30FNO2 — CID 59049917

IUPACmethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FNO2/c1-15(2)21(20(24)25-3)11-8-19(14-21)23-12-9-17(10-13-23)16-4-6-18(22)7-5-16/h4-7,15,17,19H,8-14H2,1-3H3
InChIKeyZUEVUURCTUGIIJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.37
Rot. Bonds4

About methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate

methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 59049917) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
PubChem CID59049917
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC Namemethyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C21H30FNO2/c1-15(2)21(20(24)25-3)11-8-19(14-21)23-12-9-17(10-13-23)16-4-6-18(22)7-5-16/h4-7,15,17,19H,8-14H2,1-3H3
InChIKeyZUEVUURCTUGIIJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate (CID 59049917) is methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate is COC(=O)C1(C(C)C)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is ZUEVUURCTUGIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c1-15(2)21(20(24)25-3)11-8-19(14-21)23-12-9-17(10-13-23)16-4-6-18(22)7-5-16/h4-7,15,17,19H,8-14H2,1-3H3.
What are the key properties of methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?
methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 347.47 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 59049917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).