(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine

C22H26F2N2O2 — CID 168956205

IUPAC(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1[C@@H]1CN([C@H]2CCOc3c2ccc(F)c3F)CCN1
InChIInChI=1S/C22H26F2N2O2/c1-14(2)28-20-6-4-3-5-15(20)18-13-26(11-10-25-18)19-9-12-27-22-16(19)7-8-17(23)21(22)24/h3-8,14,18-19,25H,9-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyRLCBQQDDYRECKC-OALUTQOASA-N
MW388.46 g/mol
LogP4.22
Rot. Bonds4

About (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine

(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine (PubChem CID 168956205) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine
PubChem CID168956205
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1[C@@H]1CN([C@H]2CCOc3c2ccc(F)c3F)CCN1
InChIInChI=1S/C22H26F2N2O2/c1-14(2)28-20-6-4-3-5-15(20)18-13-26(11-10-25-18)19-9-12-27-22-16(19)7-8-17(23)21(22)24/h3-8,14,18-19,25H,9-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyRLCBQQDDYRECKC-OALUTQOASA-N
XLogP4.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine?
The IUPAC name of (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine (CID 168956205) is (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine is CC(C)Oc1ccccc1[C@@H]1CN([C@H]2CCOc3c2ccc(F)c3F)CCN1.
What is the InChIKey of (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine?
The InChIKey is RLCBQQDDYRECKC-OALUTQOASA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-14(2)28-20-6-4-3-5-15(20)18-13-26(11-10-25-18)19-9-12-27-22-16(19)7-8-17(23)21(22)24/h3-8,14,18-19,25H,9-13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine?
(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine has a molecular weight of 388.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 168956205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).