1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine

C19H29ClN2 — CID 782883

IUPAC1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
SMILESCC(C)=CCC[C@H](C)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN2/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-/m0/s1
InChIKeyMWPBWJAWYBHWPP-KRWDZBQOSA-N
MW320.91 g/mol
LogP4.84
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine

1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine (PubChem CID 782883) has the molecular formula C19H29ClN2 and a molecular weight of 320.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
PubChem CID782883
Molecular FormulaC19H29ClN2
Molecular Weight320.91 g/mol
Exact Mass320.20
IUPAC Name1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
SMILESCC(C)=CCC[C@H](C)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN2/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-/m0/s1
InChIKeyMWPBWJAWYBHWPP-KRWDZBQOSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine (CID 782883) is 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine is CC(C)=CCC[C@H](C)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine?
The InChIKey is MWPBWJAWYBHWPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29ClN2/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-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine?
1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine has a molecular weight of 320.91 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine is sourced from PubChem (CID 782883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).