(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride

C20H23Cl2N3 — CID 171306357

IUPAC(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C20H21N3.2ClH/c21-8-7-20(23-11-9-22-10-12-23)16-5-6-19-17(14-16)13-15-3-1-2-4-18(15)19;;/h1-6,14,20,22H,7,9-13H2;2*1H/t20-;;/m0../s1
InChIKeyDATNUTHQBLVDGI-FJSYBICCSA-N
MW376.33 g/mol
LogP3.96
Rot. Bonds3

About (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride

(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride (PubChem CID 171306357) has the molecular formula C20H23Cl2N3 and a molecular weight of 376.33 g/mol. Its IUPAC name is (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride.

Molecular Properties

Compound Name(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
PubChem CID171306357
Molecular FormulaC20H23Cl2N3
Molecular Weight376.33 g/mol
Exact Mass375.13
IUPAC Name(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
SMILESCl.Cl.N#CC[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1
InChIInChI=1S/C20H21N3.2ClH/c21-8-7-20(23-11-9-22-10-12-23)16-5-6-19-17(14-16)13-15-3-1-2-4-18(15)19;;/h1-6,14,20,22H,7,9-13H2;2*1H/t20-;;/m0../s1
InChIKeyDATNUTHQBLVDGI-FJSYBICCSA-N
XLogP3.96
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171172658
1-[(1S)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171167242
1-[(1S)-2-cyclopropyl-1-(9H-fluoren-2-yl)ethyl]piperazine
CID 171282564
1-[(1R)-1-(9H-fluoren-2-yl)hexyl]piperazine
CID 171308299
1-[(1S)-1-(9H-fluoren-2-yl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171295162
(3S)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305866
(3R)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306611
(3S)-3-(3,4-dimethylphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305864
(3R)-3-(3,4-dichlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306644
(3R)-3-(3-iodophenyl)-3-piperazin-1-ylpropanenitrile
CID 171307003
(3R)-3-(4-bromophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306575
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306546

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
The IUPAC name of (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride (CID 171306357) is (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride.
What is the SMILES notation for (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
The canonical SMILES for (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride is Cl.Cl.N#CC[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CCNCC1.
What is the InChIKey of (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
The InChIKey is DATNUTHQBLVDGI-FJSYBICCSA-N. The full InChI is InChI=1S/C20H21N3.2ClH/c21-8-7-20(23-11-9-22-10-12-23)16-5-6-19-17(14-16)13-15-3-1-2-4-18(15)19;;/h1-6,14,20,22H,7,9-13H2;2*1H/t20-;;/m0../s1.
What are the key properties of (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride?
(3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(9H-fluoren-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride is sourced from PubChem (CID 171306357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).