[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate

C21H31FN2O3 — CID 175137543

IUPAC[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CC(c2ccc(F)cc2)CC1O)C1CCCNC1
InChIInChI=1S/C21H31FN2O3/c1-21(2,3)24(17-5-4-10-23-13-17)20(26)27-19-12-15(11-18(19)25)14-6-8-16(22)9-7-14/h6-9,15,17-19,23,25H,4-5,10-13H2,1-3H3
InChIKeyJPPXZFKNEXHTGH-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.42
Rot. Bonds3

About [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate

[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate (PubChem CID 175137543) has the molecular formula C21H31FN2O3 and a molecular weight of 378.49 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
PubChem CID175137543
Molecular FormulaC21H31FN2O3
Molecular Weight378.49 g/mol
Exact Mass378.23
IUPAC Name[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CC(c2ccc(F)cc2)CC1O)C1CCCNC1
InChIInChI=1S/C21H31FN2O3/c1-21(2,3)24(17-5-4-10-23-13-17)20(26)27-19-12-15(11-18(19)25)14-6-8-16(22)9-7-14/h6-9,15,17-19,23,25H,4-5,10-13H2,1-3H3
InChIKeyJPPXZFKNEXHTGH-UHFFFAOYSA-N
XLogP3.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The IUPAC name of [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate (CID 175137543) is [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate.
What is the SMILES notation for [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The canonical SMILES for [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate is CC(C)(C)N(C(=O)OC1CC(c2ccc(F)cc2)CC1O)C1CCCNC1.
What is the InChIKey of [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
The InChIKey is JPPXZFKNEXHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN2O3/c1-21(2,3)24(17-5-4-10-23-13-17)20(26)27-19-12-15(11-18(19)25)14-6-8-16(22)9-7-14/h6-9,15,17-19,23,25H,4-5,10-13H2,1-3H3.
What are the key properties of [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate?
[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate has a molecular weight of 378.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate is sourced from PubChem (CID 175137543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).