1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine

C19H29FN2 — CID 756886

IUPAC1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine
SMILESCC(C)=CCC[C@@H](C)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2/c1-16(2)5-4-6-17(3)15-21-11-13-22(14-12-21)19-9-7-18(20)8-10-19/h5,7-10,17H,4,6,11-15H2,1-3H3/t17-/m1/s1
InChIKeyWBTOYJQHYYBOHL-QGZVFWFLSA-N
MW304.45 g/mol
LogP4.33
Rot. Bonds6

About 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine

1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine (PubChem CID 756886) has the molecular formula C19H29FN2 and a molecular weight of 304.45 g/mol. Its IUPAC name is 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine
PubChem CID756886
Molecular FormulaC19H29FN2
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Name1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine
SMILESCC(C)=CCC[C@@H](C)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H29FN2/c1-16(2)5-4-6-17(3)15-21-11-13-22(14-12-21)19-9-7-18(20)8-10-19/h5,7-10,17H,4,6,11-15H2,1-3H3/t17-/m1/s1
InChIKeyWBTOYJQHYYBOHL-QGZVFWFLSA-N
XLogP4.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
CID 782883
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
4-[4-(2-methylpentyl)piperazin-1-yl]aniline
CID 62265544
1-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4083768
1-(2,2-diphenylethyl)-4-(4-fluorophenyl)piperazine
CID 1376189
1-(2-bromo-3,3,3-trifluoropropyl)-4-(4-fluorophenyl)piperazine
CID 64758736
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111802248
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
CID 174859465
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine (CID 756886) is 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine is CC(C)=CCC[C@@H](C)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is WBTOYJQHYYBOHL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29FN2/c1-16(2)5-4-6-17(3)15-21-11-13-22(14-12-21)19-9-7-18(20)8-10-19/h5,7-10,17H,4,6,11-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine?
1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 304.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 756886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).