1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone

C19H28N2O2 — CID 125008540

IUPAC1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2(O)CCCCC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-16(22)20-12-13-21(15-19(23)10-6-3-7-11-19)18(14-20)17-8-4-2-5-9-17/h2,4-5,8-9,18,23H,3,6-7,10-15H2,1H3/t18-/m1/s1
InChIKeyUVQZHJSZFDRMEB-GOSISDBHSA-N
MW316.44 g/mol
LogP2.59
Rot. Bonds3

About 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone

1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone (PubChem CID 125008540) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone
PubChem CID125008540
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC2(O)CCCCC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-16(22)20-12-13-21(15-19(23)10-6-3-7-11-19)18(14-20)17-8-4-2-5-9-17/h2,4-5,8-9,18,23H,3,6-7,10-15H2,1H3/t18-/m1/s1
InChIKeyUVQZHJSZFDRMEB-GOSISDBHSA-N
XLogP2.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124939881
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
1-[4-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109329
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124941396
1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 110098224
1-acetyl-4-[(1-hydroxycycloheptyl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132649094
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124953208
1-acetyl-4-[(4-hydroxy-1-phenylpiperidin-4-yl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132771183
1-[(3R)-3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 124974764

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone (CID 125008540) is 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone is CC(=O)N1CCN(CC2(O)CCCCC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is UVQZHJSZFDRMEB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16(22)20-12-13-21(15-19(23)10-6-3-7-11-19)18(14-20)17-8-4-2-5-9-17/h2,4-5,8-9,18,23H,3,6-7,10-15H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone?
1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 316.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-[(1-hydroxycyclohexyl)methyl]-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 125008540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).