2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone

C17H23ClN2O2 — CID 97038805

IUPAC2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C17H23ClN2O2/c18-15-4-2-1-3-14(15)11-17(22)20-9-7-19(8-10-20)12-16(21)13-5-6-13/h1-4,13,16,21H,5-12H2/t16-/m0/s1
InChIKeyCIQMTXKQRXHCNP-INIZCTEOSA-N
MW322.84 g/mol
LogP1.80
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone (PubChem CID 97038805) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
PubChem CID97038805
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C17H23ClN2O2/c18-15-4-2-1-3-14(15)11-17(22)20-9-7-19(8-10-20)12-16(21)13-5-6-13/h1-4,13,16,21H,5-12H2/t16-/m0/s1
InChIKeyCIQMTXKQRXHCNP-INIZCTEOSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 71783108
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 94719688
(E)-1-[4-[(2S)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038768
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
2-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 60590696
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-2-(2-chlorophenyl)ethanone
CID 63394834
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120848013

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone (CID 97038805) is 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(C[C@H](O)C2CC2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone?
The InChIKey is CIQMTXKQRXHCNP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-4-2-1-3-14(15)11-17(22)20-9-7-19(8-10-20)12-16(21)13-5-6-13/h1-4,13,16,21H,5-12H2/t16-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone has a molecular weight of 322.84 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 97038805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).