(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol

C15H21ClN2O2 — CID 20800908

IUPAC(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c16-13-3-1-12(2-4-13)9-17-5-7-18(8-6-17)14-10-20-11-15(14)19/h1-4,14-15,19H,5-11H2/t14-,15-/m0/s1
InChIKeyOFRURBWTEIIMIE-GJZGRUSLSA-N
MW296.80 g/mol
LogP1.22
Rot. Bonds3

About (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol

(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol (PubChem CID 20800908) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol
PubChem CID20800908
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O2/c16-13-3-1-12(2-4-13)9-17-5-7-18(8-6-17)14-10-20-11-15(14)19/h1-4,14-15,19H,5-11H2/t14-,15-/m0/s1
InChIKeyOFRURBWTEIIMIE-GJZGRUSLSA-N
XLogP1.22
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol (CID 20800908) is (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol is O[C@H]1COC[C@@H]1N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol?
The InChIKey is OFRURBWTEIIMIE-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-3-1-12(2-4-13)9-17-5-7-18(8-6-17)14-10-20-11-15(14)19/h1-4,14-15,19H,5-11H2/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol?
(3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol has a molecular weight of 296.80 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]oxolan-3-ol is sourced from PubChem (CID 20800908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).