(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one

C19H27FN2O2 — CID 42561053

IUPAC(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-15(24-18-9-7-16(20)8-10-18)19(23)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3/t15-/m1/s1
InChIKeyWXTVUOHCJWFNQG-OAHLLOKOSA-N
MW334.43 g/mol
LogP3.07
Rot. Bonds4

About (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one

(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one (PubChem CID 42561053) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one
PubChem CID42561053
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-15(24-18-9-7-16(20)8-10-18)19(23)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3/t15-/m1/s1
InChIKeyWXTVUOHCJWFNQG-OAHLLOKOSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
CID 42561059
2-(4-fluorophenoxy)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 17165814
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 51518733
(3R)-1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxamide
CID 94164900
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 27195534
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25473593
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108533738
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
4-[4-[1-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]oxyphenyl]butan-2-one
CID 86958417
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one?
The IUPAC name of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one (CID 42561053) is (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one?
The canonical SMILES for (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one is C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one?
The InChIKey is WXTVUOHCJWFNQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-15(24-18-9-7-16(20)8-10-18)19(23)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one?
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one has a molecular weight of 334.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one is sourced from PubChem (CID 42561053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).