(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine

C19H22N2O — CID 177100016

IUPAC(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine
SMILESc1ccc([C@@H]2CN(C3CCOc4ccccc43)CCN2)cc1
InChIInChI=1S/C19H22N2O/c1-2-6-15(7-3-1)17-14-21(12-11-20-17)18-10-13-22-19-9-5-4-8-16(18)19/h1-9,17-18,20H,10-14H2/t17-,18?/m0/s1
InChIKeyXSWUEWKFSQROIG-ZENAZSQFSA-N
MW294.40 g/mol
LogP3.16
Rot. Bonds2

About (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine

(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine (PubChem CID 177100016) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine
PubChem CID177100016
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine
SMILESc1ccc([C@@H]2CN(C3CCOc4ccccc43)CCN2)cc1
InChIInChI=1S/C19H22N2O/c1-2-6-15(7-3-1)17-14-21(12-11-20-17)18-10-13-22-19-9-5-4-8-16(18)19/h1-9,17-18,20H,10-14H2/t17-,18?/m0/s1
InChIKeyXSWUEWKFSQROIG-ZENAZSQFSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine
CID 64953170
1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine
CID 60978283
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
CID 113296325
1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine
CID 83040309
1-chloro-3-phenylpiperazine
CID 18428014
1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine
CID 114506163
1-(3,4-dihydro-2H-chromen-4-yl)-N,4-dimethylpiperidin-4-amine
CID 115303934
(3R)-1-[(4S)-7,8-difluoro-3,4-dihydro-2H-chromen-4-yl]-3-(2-propan-2-yloxyphenyl)piperazine
CID 168956205
1-(3,4-dihydro-2H-chromen-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100742
3-phenyl-1-(4-propylcyclohexyl)piperazine
CID 64924571
8-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782396

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine?
The IUPAC name of (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine (CID 177100016) is (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine.
What is the SMILES notation for (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine?
The canonical SMILES for (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine is c1ccc([C@@H]2CN(C3CCOc4ccccc43)CCN2)cc1.
What is the InChIKey of (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine?
The InChIKey is XSWUEWKFSQROIG-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-6-15(7-3-1)17-14-21(12-11-20-17)18-10-13-22-19-9-5-4-8-16(18)19/h1-9,17-18,20H,10-14H2/t17-,18?/m0/s1.
What are the key properties of (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine?
(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine has a molecular weight of 294.40 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine is sourced from PubChem (CID 177100016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).