(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one

C19H28N2O2 — CID 42561059

IUPAC(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-16(23-18-10-6-3-7-11-18)19(22)21-14-12-20(13-15-21)17-8-4-2-5-9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3/t16-/m1/s1
InChIKeyBRFNKRASNGTWGN-MRXNPFEDSA-N
MW316.44 g/mol
LogP2.93
Rot. Bonds4

About (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one

(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one (PubChem CID 42561059) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
PubChem CID42561059
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-16(23-18-10-6-3-7-11-18)19(22)21-14-12-20(13-15-21)17-8-4-2-5-9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3/t16-/m1/s1
InChIKeyBRFNKRASNGTWGN-MRXNPFEDSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-(4-fluorophenoxy)propan-1-one
CID 42561053
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one?
The IUPAC name of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one (CID 42561059) is (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one?
The canonical SMILES for (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one is C[C@@H](Oc1ccccc1)C(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one?
The InChIKey is BRFNKRASNGTWGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16(23-18-10-6-3-7-11-18)19(22)21-14-12-20(13-15-21)17-8-4-2-5-9-17/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one?
(2R)-1-(4-cyclohexylpiperazin-1-yl)-2-phenoxypropan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.93, 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-phenoxypropan-1-one is sourced from PubChem (CID 42561059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).