(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

C16H20F2N2O2 — CID 97010440

IUPAC(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C16H20F2N2O2/c17-12-8-11(9-13(18)10-12)16(22)20-6-4-19(5-7-20)14-2-1-3-15(14)21/h8-10,14-15,21H,1-7H2/t14-,15-/m1/s1
InChIKeyVNAXDBADRICOLO-HUUCEWRRSA-N
MW310.34 g/mol
LogP1.64
Rot. Bonds2

About (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone

(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (PubChem CID 97010440) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
PubChem CID97010440
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1
InChIInChI=1S/C16H20F2N2O2/c17-12-8-11(9-13(18)10-12)16(22)20-6-4-19(5-7-20)14-2-1-3-15(14)21/h8-10,14-15,21H,1-7H2/t14-,15-/m1/s1
InChIKeyVNAXDBADRICOLO-HUUCEWRRSA-N
XLogP1.64
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 95759043
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 95759040
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
1,3-dihydro-2-benzofuran-5-yl-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500781
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 95758944
(2,5-dimethylphenyl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759044
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738
[4-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methylurea
CID 96500816
N-[[4-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95759214
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95758908
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone (CID 97010440) is (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is O=C(c1cc(F)cc(F)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
The InChIKey is VNAXDBADRICOLO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-12-8-11(9-13(18)10-12)16(22)20-6-4-19(5-7-20)14-2-1-3-15(14)21/h8-10,14-15,21H,1-7H2/t14-,15-/m1/s1.
What are the key properties of (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone?
(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone has a molecular weight of 310.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone is sourced from PubChem (CID 97010440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).