(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one

C23H30N2O2 — CID 92679201

IUPAC(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-11-7-8-12-22(21)27-19(3)23(26)25-15-13-24(14-16-25)17-20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3/t19-/m1/s1
InChIKeyHSHTXXKADRQABO-LJQANCHMSA-N
MW366.51 g/mol
LogP3.92
Rot. Bonds6

About (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one

(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one (PubChem CID 92679201) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
PubChem CID92679201
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
SMILESCC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-11-7-8-12-22(21)27-19(3)23(26)25-15-13-24(14-16-25)17-20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3/t19-/m1/s1
InChIKeyHSHTXXKADRQABO-LJQANCHMSA-N
XLogP3.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43885330
(2R)-2-(2-propan-2-ylphenoxy)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 42562907
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
(2S)-1-(4-benzylpiperazin-1-yl)-2-(2-methoxy-4-methylphenoxy)propan-1-one
CID 7694660
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 43875713
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 28568311
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
3-phenyl-N-[1-[2-(2-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108555440
1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one
CID 4784521
1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 39730033

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one (CID 92679201) is (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one is CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one?
The InChIKey is HSHTXXKADRQABO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)21-11-7-8-12-22(21)27-19(3)23(26)25-15-13-24(14-16-25)17-20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one?
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 92679201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).